A data set of 20 million calculated off-equilibrium conformations for organic molecules
☆102Aug 8, 2022Updated 3 years ago
Alternatives and similar repositories for ANI1_dataset
Users that are interested in ANI1_dataset are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- COMP6 Benchmark dataset for ML potentials☆40Jul 9, 2018Updated 7 years ago
- ANI-1 neural net potential with python interface (ASE)☆228Mar 11, 2024Updated 2 years ago
- The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.☆67Apr 11, 2022Updated 4 years ago
- TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentia…☆543Mar 4, 2026Updated 2 months ago
- Atoms In Molecules Neural Network Potential☆107Nov 21, 2019Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Tensorflow + Molecules = TensorMol