ASE_ANI
importedtherapeutics/ase-ani
ANI-1 neural net potential with python interface (ASE)
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/isayev/ASE_ANI
- Documentation
- unknown
- Tags
- cheminformatics · chemistry · deep-learning · force-field · neural-network · schrodinger-equation
- 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.
- AMPLcheminformatics · chemistry · neural-network
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
- equiformer_v3force-field
EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers
- chempropchemistry · neural-network
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
- Chem-Faisscheminformatics · neural-network
This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity search architecture for compounds/molecules.
- asciiMolcheminformatics · chemistry
Curses based ASCII molecule viewer for terminals.
- atom-bond-featurizercheminformatics · chemistry
A Python package for the calculation of features and descriptors for atoms and bonds in molecules.
- api.github.com/repos/isayev/ASE_ANIretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2024-03-11, 230 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/63.json→ .entries["ase-ani"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.