rodogi / biographs
Python class to easily deal with protein networks.
☆14Updated 4 years ago
Related projects: ⓘ
- Computes a molecular graph for protein structures.☆58Updated this week
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 3 years ago
- Amino Acid Embedding Representation as Machine Learning Features☆18Updated 6 years ago
- A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.☆8Updated 5 years ago
- PCA and normal mode analysis of proteins☆15Updated 4 months ago
- Deep Generative Models for Drug Combination (Graph Set) Generation given Hierarchical Disease Network Embedding☆30Updated last year
- Epistatic Net is an algorithm which allows for spectral regularization of deep neural networks to predict biological fitness functions (e…☆17Updated 3 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆26Updated 4 years ago
- Fork of matteofigliuzzi/bmDCA repository for Boltzmann-machine Direct Coupling Analysis (bmDCA).☆33Updated 4 years ago
- ☆41Updated 3 weeks ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆37Updated 3 months ago
- Differentiable Pairing using Alignment-based Language Models☆17Updated 8 months ago
- The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with…☆11Updated 5 years ago
- a python module for generating protein contact maps and distance maps☆46Updated 6 years ago
- ☆14Updated last year
- Graph neural network for generating novel amino acid sequences that fold into proteins with predetermined topologies.☆51Updated 3 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- Deep-learning models for Drug Discovery and Quantum Chemistry☆26Updated 7 years ago
- A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.☆37Updated last year
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆52Updated last month
- dMaSIF implementation for google colab☆29Updated last year
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆19Updated 3 years ago
- Open source code for AlphaFold to extract protein embeddings☆25Updated 3 years ago
- Learning with uncertainty for biological discovery and design☆33Updated last year
- The software system of improving AlphaFold2- and AlphaFold-Multimer-based protein tertiary & quaternary structure prediction. It was deve…☆23Updated 9 months ago
- Graph Network for protein-protein interface including language model features☆25Updated 5 months ago
- A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.☆40Updated 3 years ago
- ☆57Updated last year
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15Updated 6 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated 4 months ago