USearchMolecules
importeddata/usearchmolecules
Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Data & Standards
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- active
- Maturity
- deployed
- Organization
- unum-bio
- Country
- unknown
- Repository
- github.com/unum-bio/USearchMolecules
- Documentation
- unknown
- Tags
- aws-s3 · bioinformatics · biology · cheminformatics · chemistry · compchem · drug-discovery · open-data
- 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.
- TDCbioinformatics · biology · cheminformatics · chemistry
Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
- chemfilescheminformatics · chemistry · compchem
Library for reading and writing chemistry files
- DockM8cheminformatics · compchem · drug-discovery
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
- dionysusbiology · cheminformatics · chemistry
For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital Discovery:…
- bio-forgebioinformatics · biology · cheminformatics · chemistry
A high-performance, pure Rust toolkit for standardizing and preparing biomolecular systems (proteins & nucleic acids). It heals missing atoms, resolves protonation states, adds solvation, and…
- EEGDashaws-s3
EEG-DaSh: an open data, tool, and compute resource. a Python library and catalog for 700+ BIDS-first EEG, MEG, fNIRS, EMG, and iEEG datasets, ML-ready via PyTorch
- api.github.com/repos/unum-bio/USearchMoleculesretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-07-31, 109 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/41.json→ .entries["usearchmolecules"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.