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.
- USearchMoleculescheminformatics · chemistry · compchem
Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery
- lemoncheminformatics · chemistry · computational-chemistry
A framework for rapidly mining structural information from the Protein Data Bank
- pyADAcheminformatics · chemistry · computational-chemistry
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
- ScaffoldGraphcheminformatics · chemistry · computational-chemistry
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
- stkcheminformatics · chemistry · computational-chemistry
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
- 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.