besmarts
importedtherapeutics/besmarts
A toolkit for data-driven force field design based on binary-encoded SMARTS
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- besmarts.readthedocs.io
- Repository
- github.com/trevorgokey/besmarts
- Documentation
- unknown
- Tags
- cheminformatics · forcefields · smarts
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- COSMolKitcheminformatics · smarts
Pure-Rust cheminformatics toolkit and RDKit-compatible alternative for SMILES/SMARTS, SDF, fingerprints, substructure search, ETKDG, UFF/MMFF, and Python workflows.
- yacclcheminformatics · smarts
yet another ChemClassifier (Python based on wikibase-cli and rdkit)
- AccFGcheminformatics
[JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison
- AD-scRNA2QSARcheminformatics
A comprehensive computational pipeline that bridges single-cell genomics and cheminformatics to accelerate Alzheimer's Disease research. This project integrates advanced bioinformatics and machine…
- ADMET_calculationscheminformatics
ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.
- admetMesh-Botcheminformatics
:robot: Use GitHub Actions and admetMesh to predict admet automatically per 30 minutes.
- api.github.com/repos/trevorgokey/besmartsretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2025-05-06, 7 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/38.json→ .entries["besmarts"]
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