Tiger's repositories
3D-Generative-SBDD
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
Artificial-Intelligence-Deep-Learning-Machine-Learning-Tutorials
A comprehensive list of Deep Learning / Artificial Intelligence and Machine Learning tutorials - rapidly expanding into areas of AI/Deep Learning / Machine Vision / NLP and industry specific areas such as Climate / Energy, Automotives, Retail, Pharma, Medicine, Healthcare, Policy, Ethics and more.
autodocktools-prepare-py3k-forked
Python 3 fork for the preparation scripts contained in AutoDockTools
awesome-drug-discovery-knowledge-graphs
A collection of research papers, datasets and software related to knowledge graphs suitable for drug discovery.
Awesome-pytorch-list
A comprehensive list of pytorch related content on github,such as different models,implementations,helper libraries,tutorials etc.
dgl
Python package built to ease deep learning on graph, on top of existing DL frameworks.
DrugEx
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
DySAT_pytorch
Pytorch implementation of DySAT: Deep Neural Representation Learning on Dynamic Graphs via Self-Attention Networks
emacs-refactor-fork
language-specific refactoring in Emacs
examples-2
A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.
Graph-Embeddding
Reimplementation of Graph Embedding methods by Pytorch.
graph_nets
PyTorch Implementation and Explanation of Graph Representation Learning papers: DeepWalk, GCN, GraphSAGE, ChebNet & GAT.
GraphINVENT
Graph neural networks for molecular design.
graphSAGE-pytorch
A PyTorch implementation of GraphSAGE. This package contains a PyTorch implementation of GraphSAGE.
oddt-forked
Open Drug Discovery Toolkit
plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
pytorch-image-models
PyTorch image models, scripts, pretrained weights -- ResNet, ResNeXT, EfficientNet, EfficientNetV2, NFNet, Vision Transformer, MixNet, MobileNet-V3/V2, RegNet, DPN, CSPNet, and more
pytorch_geometric_temporal
PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models (CIKM 2021)
rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
SkipGram_with_NegativeSampling_Pytorch
Implementation of Word2Vec: Skip Grams with Negative Sampling method in Pytorch to generate context words from vocabulary given a single input word
tiger-tiger
Config files for my GitHub profile.
transformers
🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.