chemml
importedtherapeutics/chemml
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
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
- hachmannlab
- Country
- unknown
- Homepage
- hachmannlab.github.io/chemml
- Repository
- github.com/hachmannlab/chemml
- Documentation
- unknown
- Tags
- data-science · deep-learning · drug-discovery · machine-learning · materials-informatics · quantum-mechanics
- 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.
- MolDQN-pytorchdrug-discovery · materials-informatics
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
- molecular-vaedrug-discovery · materials-informatics
Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
- AI-Binddrug-discovery
Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
- AI-Binddrug-discovery
Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
- allegrodrug-discovery
Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials
- asapdiscoverydrug-discovery
Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
- api.github.com/repos/hachmannlab/chemmlretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-08-05, 179 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/53.json→ .entries["chemml"]
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