openmm / NNPOps
High-performance operations for neural network potentials
Why this job: works in the areas we cover, but does not say which job it does
What it does
The goal of this project is to promote the use of neural network potentials (NNPs) by providing highly optimized, open source implementations of bottleneck operations that appear in popular potentials. These are the core design principles.
Get started
conda install -c conda-forge nnpopsYou need: *CUDA Toolkit* (https://developer.nvidia.com/cuda-downloads); *Miniconda* (https://docs.conda.io/en/latest/miniconda.html)
- Maintenance
- Inactive
- Last commit 9 months ago
- Stars
- 101
- On GitHub
- Licence
- Custom
- Read before business use
- Downloads for
- None listed
- No release files
- Latest version
- v0.7
- Released 5 months ago
- Built with
- C++
- 49% of the code
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 65% closed
- 21 still open
- Pull requests
- 54 merged
- 6 waiting
- Releases
- 8
- 1 in the last year
- No contributing guide
- No security policy
- No code of conduct
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More: languages, topics and project record
Languages
- C++ 49%
- Cuda 30%
- Python 20%
- CMake 1%
Topics
- cuda
- gpu
- machine-learning
- molecular-dynamics
- molecular-modeling
Project record
- JobOther AI tools
- StatusListed
- Commits99
- Forks18
- Watching6
- Stars in 28 days0
- CreatedSep 10, 2020
- First seen by usNov 7, 2026
- CheckedNov 8, 2026