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: 25 Mar 2025
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: 27 Mar 2025
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: 05 Apr 2025
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: 04 May 2025
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: 04 May 2025
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: 25 Mar 2025
https://github.com/cnmenghan/pyphysicsball
An interactive physics sandbox built with Pygame, featuring realistic ball physics with gravity, collision, and special effects.
2d-physics 2d-physics-engine ball-physics collision-detection educational-game force-field game-development gravity-simulation interactive particle-system physics-engine physics-simulation pygame python sandbox-game simulation
Last synced: 13 Apr 2025
https://github.com/stephanmg/topo-ff
Parametrize a LAMMPS data file with a CHARMM force field
Last synced: 30 Mar 2025
https://github.com/mretegan/thylakoid
Thylakoid membrane force field parameters and coordinates
Last synced: 19 Feb 2025
https://github.com/hokru/brnoff
Brno Force Field program - alpha version
computational-chemistry force-field
Last synced: 21 Mar 2025
