nequip
importedtherapeutics/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- active
- Maturity
- deployed
- Organization
- mir-group
- Country
- unknown
- Repository
- github.com/mir-group/nequip
- Documentation
- unknown
- Tags
- atomistic-simulations · computational-chemistry · deep-learning · drug-discovery · force-fields · interatomic-potentials · machine-learning · materials-science
- 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.
- allegroatomistic-simulations · computational-chemistry · drug-discovery · force-fields · interatomic-potentials · materials-science
Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials
- DeNScomputational-chemistry · drug-discovery · force-fields
[TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
- litmattercomputational-chemistry · drug-discovery · materials-science
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
- stkcomputational-chemistry · materials-science
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
- atomskatomistic-simulations
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
- deepchemdrug-discovery · materials-science
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- api.github.com/repos/mir-group/nequipretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-08-05, 950 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/23.json→ .entries["nequip"]
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