Knowledge Graph Tools
DrugClaw/DrugClaw
Drug-discovery knowledge-graph workflow guide for assembling drug-target-disease-pathway relationship graphs from OpenTargets GraphQL, ChEMBL REST, STRING PPI, and Reactome pathway APIs, then…
Query Open Targets GraphQL API for target-disease associations, evidence, drug links, safety.
$ npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills opentargets-database --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/structural-biology-drug-discovery/opentargets-database .claude/skills/opentargets-database && rm -rf skills-srcUse ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.
Claude Code skills documentation · loads skills from .claude/skills/
Install the "opentargets-database" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/opentargets-database into .claude/skills/opentargets-database/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "opentargets-database", then confirm the skill loads.Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$skill-installer install https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/opentargets-databaseType this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.
$ npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills opentargets-database --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .agents/skills && cp -r skills-src/skills/structural-biology-drug-discovery/opentargets-database .agents/skills/opentargets-database && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "opentargets-database" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/opentargets-database into .agents/skills/opentargets-database/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "opentargets-database", then confirm the skill loads.Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills opentargets-database --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/skills/structural-biology-drug-discovery/opentargets-database .cursor/skills/opentargets-database && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "opentargets-database" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/opentargets-database into .cursor/skills/opentargets-database/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "opentargets-database", then confirm the skill loads.Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gemini skills install https://github.com/jaechang-hits/SciAgent-Skills.git --path skills/structural-biology-drug-discovery/opentargets-database--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills opentargets-database --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/skills/structural-biology-drug-discovery/opentargets-database .gemini/skills/opentargets-database && rm -rf skills-srcUse ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.
Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/
Install the "opentargets-database" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/opentargets-database into .gemini/skills/opentargets-database/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "opentargets-database", then confirm the skill loads.Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gh skill install jaechang-hits/SciAgent-Skills opentargets-databaseInstalls for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).
$ npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .github/skills && cp -r skills-src/skills/structural-biology-drug-discovery/opentargets-database .github/skills/opentargets-database && rm -rf skills-srcUse ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.
GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/
Install the "opentargets-database" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/opentargets-database into .github/skills/opentargets-database/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "opentargets-database", then confirm the skill loads.GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills opentargets-database --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/skills/structural-biology-drug-discovery/opentargets-database .opencode/skills/opentargets-database && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "opentargets-database" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/opentargets-database into .opencode/skills/opentargets-database/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "opentargets-database", then confirm the skill loads.OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
opentargets-databaseQuery Open Targets GraphQL API for target-disease associations, evidence, drug links, safety.
Opentargets Database is an agent skill from jaechang-hits/SciAgent-Skills. Query Open Targets GraphQL API for target-disease associations, evidence, drug links, safety. Search targets by gene, diseases by EFO ID; scores from 20+ sources, drug mechanisms, tractability. For ChEMBL use chembl-database-bioactivity; for trials use clinicaltrials-database-search.
Its SKILL.md is about 5.1k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.
It sits in Research & Science, covering GraphQL, Drug discovery and cheminformatics and Protein structure and design. It works with GraphQL. The repository describes itself as: 197 bioinformatics & life science skills for Claude Code and AI agents — BixBench 92.0% accuracy. RNA-seq, single-cell, drug discovery, proteomics, and more. Powers OmicsHorizon. The licence is Apache-2.0.
5 steps, taken from the first numbered list in SKILL.md.
Read from SKILL.md and the folder at commit 82c862c. It shows what the files ask for, not the result of running them.
Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.
From allowed-tools in the SKILL.md frontmatter.
Shell commands in SKILL.md call:
pipFrom the folder's file list and the shell code blocks in SKILL.md.
Hosts in commands or code, which the agent is likely to contact:
api.platform.opentargets.orgAlso links to:
platform-docs.opentargets.orgplatform.opentargets.orgFrom URLs in SKILL.md, links to its own repository left out.
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Opentargets Database loads about 5.1k tokens when it runs. Until then it costs about 76 tokens; SKILL.md has 811 words of instructions outside code blocks.
Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.
The automated check found no risky patterns in SKILL.md.
Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.
The full file from jaechang-hits/SciAgent-Skills at commit 82c862c, republished under its Apache-2.0 licence (© jaechang-hits). 811 words, ~5,098 tokens.
.claude/skills/opentargets-database/SKILL.md (or your agent's skills folder).Open Targets Platform integrates evidence from genetics, genomics, literature, and drug databases to systematically score target-disease associations for 60,000+ targets and 20,000+ diseases/phenotypes. The public GraphQL API (no authentication required) provides access to association scores, evidence from 20+ data sources (GWAS, ClinVar, ChEMBL, drugs, pathways, mouse models, expression), and detailed drug-target-disease triangles.
chembl-database-bioactivity; for clinical trial details use clinicaltrials-database-searchrequestspip install requestsimport requests
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
# Top disease associations for BRCA1
query = """
query TargetDiseases($ensgId: String!) {
target(ensemblId: $ensgId) {
id
approvedSymbol
associatedDiseases(page: {index: 0, size: 5}) {
rows {
disease { id name }
score
}
}
}
}
"""
data = ot_query(query, {"ensgId": "ENSG00000012048"})
target = data["target"]
print(f"Target: {target['approvedSymbol']}")
for row in target["associatedDiseases"]["rows"]:
print(f" {row['disease']['name']}: {row['score']:.3f}")Search for a target and retrieve basic metadata (Ensembl ID, biotype, description).
import requests
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
# Search by gene symbol
query = """
query SearchTarget($sym: String!) {
search(queryString: $sym, entityNames: ["target"]) {
hits {
id
name
entity
object {
... on Target {
approvedSymbol
approvedName
biotype
functionDescriptions
}
}
}
}
}
"""
data = ot_query(query, {"sym": "BRCA1"})
for hit in data["search"]["hits"][:3]:
obj = hit.get("object", {})
print(f"ID: {hit['id']} | {obj.get('approvedSymbol')} | {obj.get('biotype')}")
descs = obj.get("functionDescriptions", [])
if descs:
print(f" Function: {descs[0][:120]}")# Direct lookup by Ensembl ID
query2 = """
query Target($ensgId: String!) {
target(ensemblId: $ensgId) {
id approvedSymbol approvedName biotype
tractability { label modality value }
}
}
"""
data2 = ot_query(query2, {"ensgId": "ENSG00000141510"}) # TP53
t = data2["target"]
print(f"\n{t['approvedSymbol']} ({t['id']}): {t['biotype']}")
print("Tractability:")
for tr in t.get("tractability", [])[:5]:
print(f" {tr['modality']} | {tr['label']}: {tr['value']}")Retrieve association scores for a target across all associated diseases.
import requests, pandas as pd
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
query = """
query Associations($ensgId: String!, $size: Int!) {
target(ensemblId: $ensgId) {
approvedSymbol
associatedDiseases(page: {index: 0, size: $size}, orderByScore: "score") {
count
rows {
disease { id name therapeuticAreas { name } }
score
datatypeScores { id score }
}
}
}
}
"""
data = ot_query(query, {"ensgId": "ENSG00000012048", "size": 20})
target = data["target"]
assoc = target["associatedDiseases"]
print(f"{target['approvedSymbol']}: {assoc['count']} associated diseases")
rows = []
for r in assoc["rows"]:
scores = {d["id"]: d["score"] for d in r.get("datatypeScores", [])}
rows.append({
"disease": r["disease"]["name"],
"disease_id": r["disease"]["id"],
"overall_score": round(r["score"], 4),
"genetics": round(scores.get("genetic_association", 0), 3),
"drugs": round(scores.get("known_drug", 0), 3),
"literature": round(scores.get("literature", 0), 3),
})
df = pd.DataFrame(rows)
print(df.head(10).to_string(index=False))Given a disease, retrieve all associated targets ranked by score.
import requests, pandas as pd
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
query = """
query DiseaseTargets($efoId: String!, $size: Int!) {
disease(efoId: $efoId) {
id name
associatedTargets(page: {index: 0, size: $size}, orderByScore: "score") {
count
rows {
target { id approvedSymbol biotype }
score
datatypeScores { id score }
}
}
}
}
"""
# EFO_0000305 = breast carcinoma
data = ot_query(query, {"efoId": "EFO_0000305", "size": 10})
disease = data["disease"]
print(f"Disease: {disease['name']}")
print(f"Total associated targets: {disease['associatedTargets']['count']}")
for row in disease["associatedTargets"]["rows"][:5]:
t = row["target"]
print(f" {t['approvedSymbol']:12s} score={row['score']:.3f} biotype={t['biotype']}")Retrieve approved and investigational drugs, their mechanism, and clinical phase.
import requests, pandas as pd
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
query = """
query KnownDrugs($ensgId: String!) {
target(ensemblId: $ensgId) {
approvedSymbol
drugAndClinicalCandidates {
count
rows {
maxClinicalStage
drug { id name drugType maximumClinicalStage mechanismsOfAction { rows { mechanismOfAction } } }
diseases { disease { id name } }
}
}
}
}
"""
data = ot_query(query, {"ensgId": "ENSG00000146648"}) # EGFR
target = data["target"]
drugs_data = target["drugAndClinicalCandidates"]
print(f"{target['approvedSymbol']}: {drugs_data['count']} drug-indication pairs")
rows = []
for r in drugs_data["rows"]:
drug = r["drug"]
moa = drug.get("mechanismsOfAction") or {}
moa_first = (moa.get("rows") or [{}])[0].get("mechanismOfAction")
first_disease = (r.get("diseases") or [{}])[0].get("disease") or {}
rows.append({
"drug": drug["name"],
"type": drug["drugType"],
"maxClinicalStage": r["maxClinicalStage"],
"approved": drug["maximumClinicalStage"] == "PHASE_4",
"indication": first_disease.get("name", "n/a"),
"mechanism": moa_first,
})
df = pd.DataFrame(rows).drop_duplicates(subset=["drug", "indication"])
print(df.head(10).to_string(index=False))Retrieve detailed evidence records (GWAS, ClinVar, literature) for a target-disease pair.
import requests
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
query = """
query Evidence($ensgId: String!, $efoId: String!) {
disease(efoId: $efoId) {
evidences(
ensemblIds: [$ensgId]
enableIndirect: true
size: 10
datasourceIds: ["gwas_catalog", "clinvar", "chembl"]
) {
count
rows {
datasourceId
score
variantRsId
studyId
publicationYear
clinicalSignificances
}
}
}
}
"""
data = ot_query(query, {"ensgId": "ENSG00000012048", "efoId": "EFO_0000305"})
evidences = data["disease"]["evidences"]
print(f"Evidence records: {evidences['count']}")
for ev in evidences["rows"][:5]:
print(f" Source: {ev['datasourceId']:20s} | Score: {ev['score']:.3f}")Retrieve known adverse events and safety data for a target.
import requests
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
query = """
query Safety($ensgId: String!) {
target(ensemblId: $ensgId) {
approvedSymbol
safetyLiabilities {
event
effects { direction dosing }
biosamples { tissueLabel cellLabel }
datasource
}
}
}
"""
data = ot_query(query, {"ensgId": "ENSG00000146648"}) # EGFR
target = data["target"]
print(f"Safety liabilities for {target['approvedSymbol']}:")
for s in target.get("safetyLiabilities", [])[:5]:
print(f" Event: {s['event']}")
# 2025 schema: `datasource` is a scalar literature-citation string,
# not the legacy `datasources[{name, pmid}]` list of objects
print(f" Source: {s.get('datasource', 'n/a')}")
for eff in s.get("effects", []) or []:
print(f" Effect: direction={eff.get('direction')} dosing={eff.get('dosing')}")Open Targets uses harmonic sum aggregation to combine evidence from multiple data sources into a 0–1 association score. Subscores include: genetic_association, somatic_mutation, known_drug, affected_pathway, literature, RNA_expression, animal_model, and others. Higher scores indicate more and stronger evidence.
Open Targets uses Experimental Factor Ontology (EFO) identifiers for diseases (e.g., EFO_0000305 for breast carcinoma). Search by disease name using the search query to find EFO IDs before querying associations.
Goal: Given a disease, rank all associated targets by overall score and export with evidence breakdown.
import requests, pandas as pd, time
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
def disease_search(name):
q = 'query S($q:String!){search(queryString:$q,entityNames:["disease"]){hits{id name}}}'
data = ot_query(q, {"q": name})
return [(h["id"], h["name"]) for h in data["search"]["hits"][:3]]
def get_top_targets(efo_id, n=50):
q = """
query($efoId:String!,$size:Int!){
disease(efoId:$efoId){
name
associatedTargets(page:{index:0,size:$size},orderByScore:"score"){
count
rows{
target{id approvedSymbol biotype}
score
datatypeScores { id score }
}
}
}
}"""
data = ot_query(q, {"efoId": efo_id, "size": n})
disease = data["disease"]
rows = []
for row in disease["associatedTargets"]["rows"]:
t = row["target"]
scores = {d["id"]: round(d["score"], 3) for d in row.get("datatypeScores", [])}
rows.append({
"target": t["approvedSymbol"],
"ensembl_id": t["id"],
"biotype": t["biotype"],
"overall_score": round(row["score"], 4),
**scores
})
return disease["name"], pd.DataFrame(rows)
# Step 1: Find EFO ID for disease
candidates = disease_search("non-small cell lung carcinoma")
print("Disease candidates:", candidates)
# Step 2: Get top targets
disease_name, df = get_top_targets("EFO_0003060", n=50)
df.to_csv("target_prioritization.csv", index=False)
print(f"\nTop targets for {disease_name}:")
cols = [c for c in ["target", "overall_score", "genetic_association", "known_drug", "literature", "rna_expression", "somatic_mutation"] if c in df.columns]
print(df[cols].head(10).to_string(index=False))Goal: For a target, retrieve all drugs and their associated indications and phases.
import requests, pandas as pd
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
def ot_query(gql, variables=None):
r = requests.post(OT_URL, json={"query": gql, "variables": variables or {}})
r.raise_for_status()
return r.json()["data"]
query = """
query($ensgId:String!){
target(ensemblId:$ensgId){
approvedSymbol
drugAndClinicalCandidates{
count
rows{
maxClinicalStage
drug{id name drugType maximumClinicalStage mechanismsOfAction { rows { mechanismOfAction } } }
diseases { disease { id name } }
}
}
}
}"""
targets = {
"EGFR": "ENSG00000146648",
"ERBB2": "ENSG00000141736",
}
all_rows = []
for sym, ensg in targets.items():
data = ot_query(query, {"ensgId": ensg})
for row in data["target"]["drugAndClinicalCandidates"]["rows"]:
drug = row["drug"]
moa = drug.get("mechanismsOfAction") or {}
moa_first = (moa.get("rows") or [{}])[0].get("mechanismOfAction")
first_disease = (row.get("diseases") or [{}])[0].get("disease") or {}
all_rows.append({
"target": sym,
"drug": drug["name"],
"drug_type": drug["drugType"],
"maxClinicalStage": row["maxClinicalStage"],
"approved": drug["maximumClinicalStage"] == "PHASE_4",
"indication": first_disease.get("name", "n/a"),
"mechanism": moa_first,
})
df = pd.DataFrame(all_rows)
df.to_csv("drug_target_matrix.csv", index=False)
print(df.head(10).to_string(index=False))| Parameter | Module | Default | Range / Options | Effect |
|---|---|---|---|---|
page.size | Associations | 10 | 1–10000 | Records per page |
page.index | Associations | 0 | 0–N | Page index for pagination |
orderByScore | Associations | "score" | "score", component IDs | Sort associations by score |
datasourceIds | Evidence | all sources | list of datasource IDs | Filter evidence by source |
enableIndirect | Evidence | false | true/false | Include child disease evidence |
entityNames | Search | all | ["target"], ["disease"] | Filter search entity type |
Use EFO IDs for diseases: Disease names vary; always use the search query to get the canonical EFO ID before running association queries to avoid name-matching issues.
Paginate for full result sets: Default page size is 10; use page.size: 10000 for complete results, but be aware this can return large payloads.
Filter by datatypeScores: For genetic target validation, filter on genetic_association subscore > 0.1; for drug repurposing, prioritize known_drug subscore.
Use enableIndirect: true in evidence queries to include evidence for disease subtypes (child terms in EFO hierarchy).
Cache GraphQL responses: Open Targets data updates quarterly; cache responses during analysis to avoid redundant API calls.
When to use: Resolve a disease name to the EFO ID needed for association queries.
import requests
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
query = """
query($q: String!) {
search(queryString: $q, entityNames: ["disease"]) {
hits { id name score }
}
}"""
r = requests.post(OT_URL, json={"query": query, "variables": {"q": "breast cancer"}})
for hit in r.json()["data"]["search"]["hits"][:5]:
print(f"{hit['id']}: {hit['name']} (score={hit['score']:.3f})")When to use: Assess whether a target is tractable for small molecules, antibodies, or PROTACs.
import requests
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
query = """
query($ensgId: String!) {
target(ensemblId: $ensgId) {
approvedSymbol
tractability { label modality value }
}
}"""
r = requests.post(OT_URL, json={"query": query, "variables": {"ensgId": "ENSG00000141510"}})
t = r.json()["data"]["target"]
print(f"Tractability for {t['approvedSymbol']}:")
for tr in t.get("tractability", []):
if tr["value"]:
print(f" [{tr['modality']}] {tr['label']}")When to use: Find all approved drugs for a disease with phase 4 evidence.
import requests, pandas as pd
OT_URL = "https://api.platform.opentargets.org/api/v4/graphql"
query = """
query($efoId: String!) {
disease(efoId: $efoId) {
name
drugAndClinicalCandidates { count rows {
maxClinicalStage
drug { name maximumClinicalStage drugType }
}}
}
}"""
r = requests.post(OT_URL, json={"query": query, "variables": {"efoId": "EFO_0000305"}})
data = r.json()["data"]["disease"]
approved = [row for row in data["drugAndClinicalCandidates"]["rows"] if row["drug"]["maximumClinicalStage"] == "PHASE_4"]
print(f"Approved drugs for {data['name']}: {len(approved)}")
for row in approved[:5]:
print(f" {row['drug']['name']} ({row['drug']['drugType']}) maxStage={row['maxClinicalStage']}")| Problem | Cause | Solution |
|---|---|---|
HTTP 400 with GraphQL error | Malformed query or invalid field name | Check query against GraphQL schema at https://api.platform.opentargets.org/api/v4/graphql |
Empty rows in associations | EFO ID not recognized | Use search query to find correct EFO ID |
| Target not found | Gene symbol vs Ensembl ID mismatch | Use search query first to resolve Ensembl ID |
| Slow query for large result set | page.size too large | Cap at 500 rows; paginate with multiple requests |
| Missing tractability data | Target not assessed | Not all targets have tractability; check tractability field is non-null |
drugAndClinicalCandidates empty | No drug-target evidence in ChEMBL | Use chembl-database-bioactivity for preclinical compound activity |
chembl-database-bioactivity — Bioactivity IC50/Ki data for compounds against targetsclinicaltrials-database-search — Detailed clinical trial information for drugs found via Open Targetsensembl-database — Ensembl IDs and variant annotations needed as input to Open Targets queriesstring-database-ppi — Protein-protein interaction networks to contextualize target biology© jaechang-hits, Apache-2.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file
Just SKILL.md in skills/structural-biology-drug-discovery/opentargets-database of jaechang-hits/SciAgent-Skills.
Open the folder on GitHubat commit 82c862c
We found 1 copy of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in jaechang-hits/SciAgent-Skills, which our catalogue first saw on October 7, 2026.
Opentargets Database next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| Opentargets Database this skilljaechang-hits/SciAgent-Skills | 371 | 1 repos | ~5.1k | Automated safety check: Pass | Apache-2.0 | |
| Knowledge Graph ToolsDrugClaw/DrugClaw | 125 | — | ~1.7k | Automated safety check: Pass | Apache-2.0 | |
| DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills | 48k | 1 repos | ~3k | Automated safety check: Notes | MIT | |
| Biopipelineslocbp-uzh/biopipelines | 109 | — | ~2.4k | Automated safety check: Pass | MIT | |
| Pdb Databasedavila7/claude-code-templates | 32k | 9 repos | ~2.3k | Automated safety check: Pass | MIT | |
| Tooluniverseynulihao/AgentSkillOS | 617 | 2 repos | ~2.5k | Automated safety check: Pass | None |
DrugClaw/DrugClaw
Drug-discovery knowledge-graph workflow guide for assembling drug-target-disease-pathway relationship graphs from OpenTargets GraphQL, ChEMBL REST, STRING PPI, and Reactome pathway APIs, then…
K-Dense-AI/scientific-agent-skills
Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity.
locbp-uzh/biopipelines
Design and run computational protein and ligand workflows on a GPU: binder and enzyme design, de novo backbone generation, inverse folding and sequence redesign, structure prediction, protein-ligand…
davila7/claude-code-templates
Access RCSB PDB for 3D protein/nucleic acid structures. An agent skill from davila7/claude-code-templates.
ynulihao/AgentSkillOS
A skill your agent uses when working with scientific research tools and workflows across bioinformatics, cheminformatics, genomics, structural biology, proteomics, and drug discovery.
JimLiu/science-skills
Structure prediction for protein, nucleic-acid, and small-molecule complexes with the Chai-1 foundation model (Chai Discovery 2024, github.com/chaidiscovery/chai-lab).
jaechang-hits/SciAgent-Skills
NEB-IRC activation energy pipeline for reaction barriers using GFN2-xTB and pysisyphus.
jaechang-hits/SciAgent-Skills
3Dmol.js WebGL molecular visualization emitted as self-contained HTML.
jaechang-hits/SciAgent-Skills
Constraint-based (COBRA) analysis of genome-scale metabolic models: FBA, FVA, knockouts, flux sampling, production envelopes, gapfilling, media optimization.
jaechang-hits/SciAgent-Skills
Read, write, and edit ChemDraw CDX/CDXML files with RDKit's rdkit.Chem.rdChemDraw plus direct XML editing, always paired with a rendered PNG.
jaechang-hits/SciAgent-Skills
Programmatic PubMed access via NCBI E-utilities REST API. An agent skill from jaechang-hits/SciAgent-Skills.
jaechang-hits/SciAgent-Skills
Scaffold a new SciAgent-Skills entry. An agent skill from jaechang-hits/SciAgent-Skills.
Works with
Categories
Query Open Targets GraphQL API for target-disease associations, evidence, drug links, safety. Opentargets Database is an agent skill from jaechang-hits/SciAgent-Skills. Query Open Targets GraphQL API for target-disease associations, evidence, drug links, safety.
Opentargets Database fits situations like: tasks that involve GraphQL; tasks that involve Drug discovery and cheminformatics; tasks that involve Protein structure and design.
Run `npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a claude-code`. Or copy the skill folder (skills/structural-biology-drug-discovery/opentargets-database in jaechang-hits/SciAgent-Skills) into .claude/skills/opentargets-database in your project. Claude Code loads it when a task matches its description.
Run `npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a codex`. Or copy the skill folder (skills/structural-biology-drug-discovery/opentargets-database in jaechang-hits/SciAgent-Skills) into .agents/skills/opentargets-database in your project. Codex loads it when a task matches its description.
Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add jaechang-hits/SciAgent-Skills --skill opentargets-database -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/opentargets-database, .gemini/skills/opentargets-database, .github/skills/opentargets-database and .opencode/skills/opentargets-database in your project.
Going by SKILL.md and its folder, Opentargets Database needs the command-line tools its instructions call (pip). Our summary lists: Python 3.
SKILL.md names 3 domains. In commands or code: api.platform.opentargets.org; the agent is likely to contact it when it follows the instructions. As links in the text: platform-docs.opentargets.org and platform.opentargets.org. This is read from the text; nothing was executed.
Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.
Opentargets Database is published under the Apache-2.0 licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.
About 5.1k tokens (SKILL.md is roughly 20k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.
Skills that share tags, products or a category with Opentargets Database: Knowledge Graph Tools (DrugClaw/DrugClaw, 125 stars), DiffDock Molecular Docking (K-Dense-AI/scientific-agent-skills, 48k stars), Biopipelines (locbp-uzh/biopipelines, 109 stars) and Pdb Database (davila7/claude-code-templates, 32k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
jaechang-hits (a GitHub user) maintains it in jaechang-hits/SciAgent-Skills, which has 371 GitHub stars. The repository holds 169 skills in this directory. The repository was last updated on September 29, 2026.
Source: jaechang-hits/SciAgent-Skills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.