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An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with force-field
A curated list of projects in awesome lists tagged with force-field .
https://github.com/grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
atomistic-simulations computational-chemistry force-field quantum-chemistry tight-binding
Last synced: 03 Dec 2024
https://github.com/aiqm/torchani
Accurate Neural Network Potential on PyTorch
deep-learning force-field molecular-simulation neural-network quantum-chemistry quantum-mechanics
Last synced: 30 Oct 2024
https://github.com/jparkhill/tensormol
Tensorflow + Molecules = TensorMol
chemistry force-field machine-learning meta-dynamics molecular-dynamics molecular-simulation molecules monte-carlo neural-network simulation tensorflow
Last synced: 30 Dec 2024
https://github.com/jparkhill/TensorMol
Tensorflow + Molecules = TensorMol
chemistry force-field machine-learning meta-dynamics molecular-dynamics molecular-simulation molecules monte-carlo neural-network simulation tensorflow
Last synced: 13 Nov 2024
https://github.com/isayev/ASE_ANI
ANI-1 neural net potential with python interface (ASE)
cheminformatics chemistry deep-learning force-field neural-network schrodinger-equation
Last synced: 13 Nov 2024
https://github.com/grimme-lab/xtbiff
General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations
computational-chemistry force-field quantum-chemistry
Last synced: 03 Dec 2024
https://github.com/mretegan/thylakoid
Thylakoid membrane force field parameters and coordinates
Last synced: 29 Dec 2024
https://github.com/hokru/brnoff
Brno Force Field program - alpha version
computational-chemistry force-field
Last synced: 28 Nov 2024
