7 Repositories
Latest Python Libraries
Addon and nodes for working with structural biology and molecular data in Blender.
Molecular Nodes 🧬 🔬 💻 Buy Me a Coffee to Keep Development Going! Join a Community of Blender SciVis People! What is Molecular Nodes? Molecular Node
456 Jan 08, 2023
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
355 Jan 03, 2023
Structural basis for solubility in protein expression systems
Structural basis for solubility in protein expression systems Large-scale protein production for biotechnology and biopharmaceutical applications rely
16 Aug 18, 2022
A denoising diffusion probabilistic model (DDPM) tailored for conditional generation of protein distograms
Denoising Diffusion Probabilistic Model for Proteins Implementation of Denoising Diffusion Probabilistic Model in Pytorch. It is a new approach to gen
108 Nov 23, 2022
Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pytorch. Idea proposed and accepted at ICLR 2021
Geometric Vector Perceptron Implementation of Geometric Vector Perceptron, a simple circuit with 3d rotation equivariance for learning over large biom
59 Nov 24, 2022
Deep generative models of 3D grids for structure-based drug discovery
What is liGAN? liGAN is a research codebase for training and evaluating deep generative models for de novo drug design based on 3D atomic density grid
152 Jan 03, 2023
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
Molecular Docking integrated in Jupyter Notebooks Description | Citation | Installation | Examples | Limitations | License Table of content Descriptio
173 Dec 25, 2022