dingye18

discord_and_entanglement

Graduation thesis code: For computing quantum discord and entanglement of two coupled system

cmu15213

PointFlow

PointFlow : 3D Point Cloud Generation with Continuous Normalizing Flows

Uni-Fold

An open-source platform for developing protein models beyond AlphaFold.

ASE_ANI

ANI-1 neural net potential with python interface (ASE)

coursera-Algorithm-Part1

About Coursera Algorithm from princeton

coursera-Algorithms-Part2

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

MPIDOpenMMPlugin

OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.

openmm_dmff_plugin

coursera-Neural-Network-For-Machine-Learning

deepmd-kit_docker

A docker of DeePMD-kit

dingye18.github.io

DMFF

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.

Dota2_DPPO_bots

dpdata

Manipulating DeePMD-kit, VASP, LAMMPS data formats.

FLOT

FLOT: Scene Flow Estimation by Learned Optimal Transport on Point Clouds

glow

Code for reproducing results in "Glow: Generative Flow with Invertible 1x1 Convolutions"

image4self

jax

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

nvidia-docker

Build and run Docker containers leveraging NVIDIA GPUs

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmm-ml

High level API for using machine learning models in OpenMM simulations

openmm-tensorflow

OpenMM plugin to define forces with neural networks

openmm_deepmd_plugin

openmm_deepmd_plugin-feedstock

ReLeaSE

Deep Reinforcement Learning for de-novo Drug Design

RL_NAV

SampleNNP-MD

zjuthesis

Zhejiang University Graduation Thesis LaTeX Template