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GitHub / aiqm / torchani

Accurate Neural Network Potential on PyTorch

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiqm%2Ftorchani

Stars: 432
Forks: 120
Open Issues: 23

License: mit
Language: Python
Repo Size: 74.1 MB
Dependencies: 43

Created: about 6 years ago
Updated: 11 days ago
Last pushed: 2 months ago
Last synced: 5 days ago

Commit Stats

Commits: 432
Authors: 17
Mean commits per author: 25.41
Development Distribution Score: 0.303
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/aiqm/torchani

Topics: deep-learning, force-field, molecular-simulation, neural-network, quantum-chemistry, quantum-mechanics

Files
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    Readme
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    Dependencies
    docs_requirements.txt pypi
    setup.py pypi
    test_requirements.txt pypi
    .github/workflows/clang-format.yml actions
    .github/workflows/cuda.yml actions
    .github/workflows/deploy-docs.yml actions
    .github/workflows/deploy-pypi.yml actions
    .github/workflows/deploy-test-pypi.yml actions
    .github/workflows/docs.yml actions
    .github/workflows/flake8.yml actions
    .github/workflows/mypy.yml actions
    .github/workflows/runnable_submodules.yml actions
    .github/workflows/stable-torch.yml actions
    .github/workflows/tools.yml actions
    .github/workflows/unittest.yml actions