chemfiles
importedtherapeutics/chemfiles
Library for reading and writing chemistry files
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- BSD-3-Clause(osi)
- Status
- active
- Maturity
- deployed
- Organization
- chemfiles
- Country
- unknown
- Homepage
- chemfiles.org
- Repository
- github.com/chemfiles/chemfiles
- Documentation
- unknown
- Tags
- cheminformatics · chemistry · compchem · computational-chemistry · files · hacktoberfest · library
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- DockM8cheminformatics · compchem · computational-chemistry
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
- bbleancheminformatics · chemistry · compchem
BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
- USearchMoleculescheminformatics · chemistry · compchem
Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery
- USearchMoleculescheminformatics · chemistry · compchem
Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery
- analogue-splitcheminformatics · compchem
pip install analoguesplit
- Fragment-hit-follow-up-chemistrycheminformatics · compchem
A collection of notebooks and scripts for the prediction of follow-up compounds in
- api.github.com/repos/chemfiles/chemfilesretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-06-19, 202 stars, license reported as BSD-3-Clause. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/3.json→ .entries["chemfiles"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.