torchani
by aiqm (organization)
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 currently maintained by the Roitberg group. (description from the project’s GitHub page)
Repository facts
- Stars
- 565
- Forks
- 139
- Open issues and pull requests
- 8
- Primary language
- Python
- License
- MIT License (MIT)
- Owner
- aiqm · Organization
- Created
- Apr 2, 2018
- Last push
- Sep 6, 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 6,339: atomistic-machine-learning/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
943 starsPythonOther licenseLast push Oct 16, 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 382: onnx/onnx
Open standard for machine learning interoperability
21,597 starsPythonApache-2.0Last push Oct 18, 2026
Rank 685: ludwig-ai/ludwig
Low-code framework for building custom LLMs, neural networks, and other AI models
11,774 starsPythonApache-2.0Last push Oct 12, 2026
Rank 704: kornia/kornia
🐍 Geometric Computer Vision Library for Spatial AI
11,434 starsPythonApache-2.0Last push Oct 18, 2026