pablogainza / masif_paper
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
☆19Updated 5 years ago
Alternatives and similar repositories for masif_paper:
Users that are interested in masif_paper are comparing it to the libraries listed below
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆55Updated 2 years ago
- Code for our paper "Protein sequence design with a learned potential"☆80Updated last year
- A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction☆60Updated 3 years ago
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆63Updated 2 years ago
- Code for Fold2Seq paper from ICML 2021☆50Updated 2 years ago
- ResPRE is an algorithm for protein residue-residue contact-map prediction☆21Updated 5 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- Database of Interacting Protein Structures (DIPS)☆98Updated last year
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59Updated last year
- Protein quality assessment using Graph Convolutional Networks☆28Updated 2 years ago
- ☆51Updated 8 months ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 4 years ago
- ☆34Updated 3 years ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆48Updated last year
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆79Updated 4 years ago
- ☆35Updated 2 years ago
- DEFMap: Dynamics Extraction From cryo-em Map☆25Updated 2 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- ☆17Updated 4 years ago
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆80Updated 3 years ago
- Computes a molecular graph for protein structures.☆58Updated this week
- Protein design and variant prediction using autoregressive generative models☆23Updated 2 years ago
- Paratope Prediction using Deep Learning☆59Updated 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
- Learning protein representation for rigid-body docking☆22Updated 5 years ago
- ☆29Updated 4 years ago
- ☆34Updated 3 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆71Updated 11 months ago
- A 3D-equivariant neural network for protein structure accuracy estimation☆18Updated 2 years ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆51Updated last month