Stars
FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
This is the offical codebase to reproduce and use EVOLVEpro, a model for in silico directed evolution of protein activities using few-shot active learning.
Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture.
Ready-to-go Jupyter notebook for plotting AlphaFold-generated MSAs, per-residue pLDDT, and PAE.
In silico directed evolution of peptide binders with AlphaFold
Attention Is All You Need | a PyTorch Tutorial to Transformers
In-depth tutorials for implementing deep learning models on your own with PyTorch.
Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
python notebooks accompanying the book Make Your Own GAN
A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.
AI-powered ab initio biomolecular dynamics simulation
Listing of papers about machine learning for proteins.
User friendly and accurate binder design pipeline
Foldseek enables fast and sensitive comparisons of large structure sets.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
整理一些书籍 ,包含 C&C++ 、git 、Java、Keras 、Linux 、NLP 、Python 、Scala 、TensorFlow 、大数据 、推荐系统、数据库、数据挖掘 、机器学习 、深度学习 、算法等。
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
Diffusion model based protein-ligand flexible docking method
GNN trained to predict changes in thermodynamic stability for protein point mutants
A Highly Opinionated List of Open Source Cheminformatics Resources
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Linux Driver for RTL8821CU, RTL8811CU USB Wi-Fi NIC
Public RFDiffusionAA repo
List of papers about Proteins Design using Deep Learning