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Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Joint sequence and structure generation with RoseTTAFold sequence space diffusion
Multistrand nucleic acid kinetic simulator
🔧rna-tools: a toolbox to analyze sequences, structures and simulations of RNA (and more) used by RNA CASP, RNA PUZZLES, and me ;-) docs @ http:https://rna-tools.rtfd.io web @ http:https://rna-tools.online
🎒 Python library to read, write, edit DNA sequences
The Rosetta Bio-macromolecule modeling package.
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
Compressing protein structures effectively with torsion angles
Custom notebook extension that utilizes a new domain specific language, Chemical Markdown Language (CMDL), to assist in documentation of experiments for small molecule chemistry and polymer chemistry.
List of molecular design using Generative AI and Deep Learning
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Generate PDB files for DNA sequence
A tool for quickly generating DNA origami nanostructures from 3D polyhedral meshes, based on the vHelix Autodesk Maya plugin: http:https://www.vhelix.net/
(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
High-throughput virtual screening towards potential targets of aptamer
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
Open source code for AlphaFold.
RoseTTAFold2 protein/nucleic acid complex prediction
精选了5K+项目,包括机器学习、深度学习、NLP、GNN、推荐系统、生物医药、机器视觉、前后端开发等内容。Selected more than 5000 projects, including machine learning, deep learning, NLP, GNN, recommendation system, biomedicine, machine vision, etc. …
Standardized data set for machine learning of protein structure
A program analyzing 3D protein structures from PDB to generate 2D binding motifs
Python workflow for DP5 and DP4 analysis of organic molecules