ANI1_dataset
importeddata/ani1-dataset
A data set of 20 million calculated off-equilibrium conformations for organic molecules
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Data & Standards
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/isayev/ANI1_dataset
- Documentation
- unknown
- Tags
- cheminformatics · chemistry · machine-learning · molecular-modeling · molecular-structures · opendata
- 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.
- stk-vischeminformatics · chemistry · molecular-modeling · molecular-structures
A cross-platform application for visualization of molecular databases.
- stkocheminformatics · chemistry · molecular-modeling · molecular-structures
A collection of molecular optimisers and property calculators for use with stk.
- sensaascheminformatics · molecular-modeling · molecular-structures
Shape-based alignment of molecules using 3D point-based representation
- bayesian-flow-network-for-chemistrycheminformatics · chemistry · molecular-modeling
ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
- MolecularGraph.jlcheminformatics · chemistry · molecular-modeling
Graph-based molecule modeling toolkit for cheminformatics
- covid-open-report-siciliaopendata
Estrazione dati bollettini settimanali DASOE (Regione Siciliana)
- api.github.com/repos/isayev/ANI1_datasetretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2022-08-08, 105 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/49.json→ .entries["ani1-dataset"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.