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Deepqmc ⭐ 308

Deep learning quantum Monte Carlo for electrons in real space

Accel Brain Code ⭐ 289

The purpose of this repository is to make prototypes as case study in the context of proof of concept(PoC) and research and development(R&D) that I have written in my website. The main research topics are Auto-Encoders in relation to the representation learning, the statistical machine learning for energy-based models, adversarial generation networks(GANs), Deep Reinforcement Learning such as Deep Q-Networks, semi-supervised learning, and neural network language model for natural language proces

Deeperwin ⭐ 35

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.

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