PKU-YuanGroup/OpenAI4S

Reproducible Scanpy workflow for human or mouse 10x scRNA-seq and snRNA-seq count matrices: single-sample descriptive QC, clustering and annotation, or comparative donor-aware pseudobulk DE and Milo…

PKU-YuanGroup/OpenAI4S

Score an LLM's biological-protocol reasoning on the BioProBench benchmark: protocol QA, step ordering, error detection, protocol generation, and LLM-judged error reasoning; or generate the responses.

PKU-YuanGroup/OpenAI4S

Map atoms and changed bonds for a complete reaction with RXNMapper.

PKU-YuanGroup/OpenAI4S

Predict ranked products from reactants and reagents with ReactionT5v2-forward; use for outcome prediction or round-trip recovery.

PKU-YuanGroup/OpenAI4S

Estimate yield for a fully specified reactant/reagent/product record with ReactionT5v2-yield.

PKU-YuanGroup/OpenAI4S

Generate de novo protein backbones with RFdiffusion for protein-target binders, hotspot-conditioned interfaces, motif scaffolding, partial diffusion, or symmetric assemblies.

PKU-YuanGroup/OpenAI4S

Generate ranked one-step precursor sets for a product with RetroChimera; use for disconnection ideas or expansion-policy calls.

PKU-YuanGroup/OpenAI4S

Audit tabular datasets before analysis or training for schema drift, missing values, duplicate rows or IDs, target imbalance, and entity or group leakage across splits using pure-stdlib helpers.

PKU-YuanGroup/OpenAI4S

Evaluate binary classification or regression models with confusion-matrix metrics, tie-aware ROC AUC, regression errors, and deterministic bootstrap confidence intervals; emphasizes held-out data…

PKU-YuanGroup/OpenAI4S

Run the reference end-to-end research pass — fixed database query, local analysis, versioned artifacts with lineage, then an exported evidence package that verifies in a clean environment.

PKU-YuanGroup/OpenAI4S

Plan reproducible machine-learning experiments with leakage-safe random, grouped, or chronological splits; deterministic configuration fingerprints; dataset checksums; seeds, baselines, ablations…

PKU-YuanGroup/OpenAI4S

Compose auditable protein-design operations through the configured OpenAI4S protein-design MCP connector: target-conditioned RFdiffusion backbone generation, constrained ProteinMPNN sequence design…

PKU-YuanGroup/OpenAI4S

Deterministic protein gain-of-function mutation workflow: build single, double, and higher-order mutant libraries; merge ESM sequence-effect scores, structure metrics from ESMFold-class models…

PKU-YuanGroup/OpenAI4S

Recommend ranked catalyst, reagent, and solvent labels for a fully specified reaction using the reviewed Parrot USPTO checkpoint.

PKU-YuanGroup/OpenAI4S

Run GPU jobs on NVIDIA NIM microservices via host.compute.create('byoc:nvidia', ...).

PKU-YuanGroup/OpenAI4S

Turn free-text rows into calibrated numeric features with TypeSafe Jev, then model them on a leakage-safe development split.

PKU-YuanGroup/OpenAI4S

Discover and call the configured Volcengine DataPro dataProsearch(query:string) MCP tool for professional-dataset queries.

PKU-YuanGroup/OpenAI4S