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Databases · Drug discovery and cheminformatics
3 skills found.
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Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Load or backfill the ORD ORM Postgres database and verify it before cutover. | open-reaction-database/ | 115 | — | ~3.6k | Automated safety check: Notes | Apache-2.0 | today |
| 2 | Find structurally similar chemical compounds using PubChem's 2D fast similarity engine via the PUG-REST API. | learningmatter-mit/ | 176 | — | ~614 | Automated safety check: Pass | MIT | 3 days ago |
| 3 | Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds. | InternScience/ | 170 | 1 repo | ~1.4k | Automated safety check: Pass | MIT | 4 mo ago |
