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Projects in Awesome Lists tagged with schrodinger-equation

A curated list of projects in awesome lists tagged with schrodinger-equation .

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: 02 Aug 2024

https://github.com/mdsunivie/deeperwin

DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.

deep-learning deep-neural-networks physical-chem quantum-monte-carlo schrodinger-equation transfer-learning variational-monte-carlo weight-sharing

Last synced: 02 Aug 2024

https://github.com/1p22geo/schrodinger

A numerical solution to the Schrodinger's equation with a web interface

numpy python schrodinger-equation

Last synced: 26 Sep 2024

https://github.com/stanczakdominik/schrodinger_1d

Schrodinger equation solver in 1D

matplotlib numpy pde schrodinger-equation

Last synced: 02 Oct 2024