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@psi4 @openmm
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  1. OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C++ 997 407

  2. OpenMM plugin to define forces with neural networks

    C++ 88 11

  3. High-performance operations for neural network potentials

    C++ 35 4

  4. Neural network potentials based on graph neural networks and equivariant transformers

    Python 50 17

  5. OpenMM plugin to interface with PLUMED

    C++ 26 18

  6. Content of https://openmm.org

    Vue 2 10

877 contributions in the last year

May Jun Jul Aug Sep Oct Nov Dec Jan Feb Mar Apr May Mon Wed Fri
Activity overview
Contributed to torchmd/torchmd-net, openmm/openmm-org, openmm/NNPOps and 20 other repositories

Contribution activity

May 2022

Created a pull request in openmm/NNPOps that received 5 comments

Fix and improve CI

Update dependencies Fix C++/CUDA standard Simplify CI Enable periodic CI

+41 −24 5 comments
Opened 6 other pull requests in 2 repositories
torchmd/torchmd-net 4 merged
openmm/NNPOps 1 open 1 closed
Reviewed 8 pull requests in 5 repositories
torchmd/torchmd-net 4 pull requests
openmm/openmm-torch 1 pull request
openmm/NNPOps 1 pull request
openmm/openmm-ml 1 pull request
conda-forge/openmm-torch-feedstock 1 pull request

Created an issue in conda-forge/openmm-torch-feedstock that received 4 comments

How to enable automatic rebuild for PyTorch?

Comment: TorchANI (conda-forge/torchani-feedstock#10) and NNPOps (conda-forge/nnpops-feedstock#3) have recieved the automated PR to rebuild for the…

4 comments
Opened 3 other issues in 3 repositories
conda-forge/nnpops-feedstock 1 open
torchmd/torchmd-net 1 closed
rusty1s/pytorch_cluster 1 open
8 contributions in private repositories May 5 – May 18

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