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conda-forge.org : torchani

Accurate Neural Network Potential on PyTorch

Registry - Source - JSON
purl: pkg:conda/torchani
Keywords: deep-learning, force-field, molecular-simulation, neural-network, quantum-chemistry, quantum-mechanics
License: MIT
Latest release: about 2 years ago
First release: almost 4 years ago
Dependent packages: 3
Dependent repositories: 7
Stars: 372 on GitHub
Forks: 104 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 29 days ago

auto3d 1.14
1 version - Latest release: over 1 year ago - 76 stars on GitHub
fegrow 1.0.2
FEgrow is an interactive workflow for building user-defined congeneric series of ligands in prote...
1 version - Latest release: almost 2 years ago - 63 stars on GitHub
nnpops 0.2
High-performance operations for neural network potentials
1 version - Latest release: about 2 years ago - 1 dependent repositories - 55 stars on GitHub