
schnetpack
by atomistic-machine-learning (organization)
SchNetPack - Deep Neural Networks for Atomistic Systems (description from the project’s GitHub page)
Repository facts
- Stars
- 943
- Forks
- 250
- Open issues and pull requests
- 11
- Primary language
- Python
- License
- Other license
- Owner
- atomistic-machine-learning · Organization
- Created
- Sep 3, 2018
- Last push
- Oct 16, 2026
Topics
Related projects
Projects that share this one’s GitHub topics.
Rank 2,237: PennyLaneAI/pennylane
PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiratio…
3,501 starsPythonApache-2.0Last push Oct 17, 2026
Rank 6,780: brucefan1983/GPUMD
Graphics Processing Units Molecular Dynamics
853 starsCudaNo license file detectedLast push Oct 18, 2026
Rank 8,873: aiqm/torchani
TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is cur…
565 starsPythonMITLast push Sep 6, 2026
Rank 6,222: mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
971 starsPythonMITLast push Sep 30, 2026
Rank 1,149: deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
7,069 starsPythonMITLast push Aug 20, 2026
Rank 3,574: deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
2,061 starsPythonLGPL-3.0Last push Oct 18, 2026