Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with potential-energy-surfaces
A curated list of projects in awesome lists tagged with potential-energy-surfaces .
https://github.com/jjgoings/gym-muller_brown
OpenAI Gym compatible environment for Reinforcement Learning on the Muller Brown potential energy surface
chemistry openai openai-gym openai-gym-environment optimization potential-energy-surfaces reinforcement-learning reinforcement-learning-environments
Last synced: 03 Dec 2024
https://github.com/koushikphy/pesman
PESMan - a program to manage global PES calculations
electronic-structure potential-energy-surfaces quantum-chemistry reaction-dynamics spectroscopy
Last synced: 14 Nov 2024
https://github.com/kartikchugh/neural-energy
Deep Neural Networks applied to representations of potential energy surfaces
deep-learning deep-neural-networks materials-science potential-energy-surfaces
Last synced: 15 Dec 2024
