biosimspace
importedtherapeutics/biosimspace
An interoperable Python framework for biomolecular simulation.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- GPL-3.0(osi)
- Status
- active
- Maturity
- deployed
- Organization
- OpenBioSim
- Country
- unknown
- Homepage
- biosimspace.openbiosim.org
- Repository
- github.com/OpenBioSim/biosimspace
- Documentation
- unknown
- Tags
- biomolecular-simulation · computational-biology · computational-chemistry · computational-physics · drug-discovery · free-energy-calculations · interoperability · molecular-dynamics
- 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.
- Posebiomolecular-simulation · computational-biology · drug-discovery · molecular-dynamics
A bare-metal Python library for building and manipulating the molecular structures of proteins, nucleic acids, and small organic molecules
- polypharmcomputational-chemistry · free-energy-calculations
A Python-based library to perform IFD and MM/GBSA calculations on different targets using a polypharmacological approach.
- equiformer_v2computational-chemistry · computational-physics · drug-discovery
[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
- IANNcomputational-chemistry · computational-physics · drug-discovery
IANN (InterAtomic Neural Network Framework) is an equivariant interatomic neural network potential framework package
- icsg3dcomputational-chemistry · computational-physics
3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
- drug-discovery-agent-skillscomputational-chemistry · drug-discovery · molecular-dynamics
Agent Skills for small-molecule and protein therapeutics: cheminformatics, molecular ML, docking and dynamics, protein design platforms, and target-discovery knowledge graphs.
- api.github.com/repos/OpenBioSim/biosimspaceretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-08-05, 168 stars, license reported as GPL-3.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/38.json→ .entries["biosimspace"]
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