Fragment-hit-follow-up-chemistry
importedtherapeutics/fragment-hit-follow-up-chemistry
A collection of notebooks and scripts for the prediction of follow-up compounds in
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Documentation
- unknown
- Tags
- cheminformatics · compchem · drug-discovery
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- bbleancheminformatics · compchem · drug-discovery
BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
- DockM8cheminformatics · compchem · drug-discovery
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
- USearchMoleculescheminformatics · compchem · drug-discovery
Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery
- USearchMoleculescheminformatics · compchem · drug-discovery
Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery
- analogue-splitcheminformatics · compchem
pip install analoguesplit
- chemfilescheminformatics · compchem
Library for reading and writing chemistry files
- api.github.com/repos/matteoferla/Fragment-hit-follow-up-chemistryretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2024-12-09, 11 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/46.json→ .entries["fragment-hit-follow-up-chemistry"]
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