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accelerated_sampling_with_autoencoder

Accelerated sampling framework with autoencoder-based method

alphafold

Open source code for AlphaFold.

ann_force

ANN force plugin for OpenMM with native CUDA support

artificialintelligenceengines

Computer code collated for use with Artificial Intelligence Engines book by JV Stone

ati-feb20

awesome-audio-visualization

A curated list about Audio Visualization.

biosimspace_tutorials

A tutorials suite for BioSimSpace.

chemformer

cleanrl

High-quality single file implementation of Deep Reinforcement Learning algorithms with research-friendly features (PPO, DQN, C51, DDPG, TD3, SAC, PPG)

coding-interview-university

A complete computer science study plan to become a software engineer.

corrfunction_nmrrelaxation

Python code to calculate the NMR relaxation 1H-15N T1, T2 and heteronuclear NOE parameters via fitting the N-H bond correlation functions to a sum of exponentials

coupling_from_tresp

dalle2-pytorch

Implementation of DALL-E 2, OpenAI's updated text-to-image synthesis neural network, in Pytorch

decision-transformer

Official codebase for Decision Transformer: Reinforcement Learning via Sequence Modeling.

deep-reinforcement-learning-algorithms-with-pytorch

PyTorch implementations of deep reinforcement learning algorithms and environments

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

enhanced-sampling-workshop-2022

finetuna

Active Learning for Machine Learning Potentials

gcn

Implementation of Graph Convolutional Networks in TensorFlow

gcn-tutorial

Simple Tutorial of Graph Convolutional Neural Networks.「 Learning by writing 」

git_test

gnn-model-explainer

gnn explainer

graphtime

Encoding of transition probabilities with undirected graphical models

hashlips_art_engine

HashLips Art Engine is a tool used to create multiple different instances of artworks based on provided layers.

histone-mark-imputation

Repo for the histone imputation project.

instance-segmentation-with-discriminative-loss-tensorflow

Tensorflow implementation of "Semantic Instance Segmentation with a Discriminative Loss Function"

llama

Inference code for LLaMA models

machine-learning-algorithm

【Numpy 手写实现】SVM 支持向量机 | KNN K近邻 | Kmeans | Logistic Regression 逻辑回归 | Maximum Entropy 最大熵 | Naive Bayes 朴素贝叶斯 | Perception 感知机 | Decision Tree 决策树 | Random Forest 随机森林 | DBDT | GDA 高斯判别分析 | PCA 主成分分析 | LDA 线性判别分析

martyns_playlists

A collection of fire playlists

md_dataset

Use inhouse MD generated data. Test LogSig/GCN approach