UENO M.'s repositories
manyfold
🧬 ManyFold: An efficient and flexible library for training and validating protein folding models
af2_conformations
A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
PyRosetta.notebooks
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
AF_Cluster
Predict multiple protein conformations using sequence clustering and AlphaFold2.
xeus-r
Jupyter kernel for the R programming language
Uni-Mol
Official Repository for the Uni-Mol Series Methods
alphafold_finetune
Python code for fine-tuning AlphaFold to perform protein-peptide binding predictions
pdb-tools
A dependency-free cross-platform swiss army knife for PDB files.
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
scrubber
Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock
bash_kernel
A bash kernel for IPython
Pocket2Mol
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
pymol-psico
Pymol ScrIpt COllection (PSICO)
nvidia-tensorflow
An Open Source Machine Learning Framework for Everyone
tensorflow
An Open Source Machine Learning Framework for Everyone
MolecularGraph.jl_notebook
Notebook tutorials for MolecularGraph.jl
binana
BINANA (BINding ANAlyzer) analyzes the geometries of predicted ligand poses to identify molecular interactions that contribute to binding. It is useful because accurately characterizing these interactions allows medicinal chemists to assess whether a predicted ligand merits further study. We have also created a BINANA web-browser application.
rsh
Ruby SHell
GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
EigenFold
EigenFold: Generative Protein Structure Prediction with Diffusion Models
3D-Generative-SBDD
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
ipymol
Control PyMOL sessions via IPython
eunos-1128
Resume
Illustrate
Biomolecular Illustration Tool