Skip to content




@psi4 @openmm
Block or Report

Block or report raimis

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse


  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

    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…

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

Seeing something unexpected? Take a look at the GitHub profile guide.