phermosilla / IEConv_proteinsLinks
Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
☆47Updated 3 years ago
Alternatives and similar repositories for IEConv_proteins
Users that are interested in IEConv_proteins are comparing it to the libraries listed below
Sorting:
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆46Updated last year
- ☆20Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆49Updated last year
- Database of Interacting Protein Structures (DIPS)☆101Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 9 months ago
- Official repository of ReactZyme☆33Updated 8 months ago
- ☆31Updated 11 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆58Updated last year
- ☆106Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 3 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Deep learning datasets for RNA 3D and 2.5D structures.☆39Updated last week
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- ☆32Updated 3 years ago
- ☆78Updated last year
- generative model for drug discovery☆59Updated last year
- Code for Fold2Seq paper from ICML 2021☆50Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆66Updated 3 months ago
- This repository implements Gibbs sampling with Graph-based Smoothing☆38Updated last year
- Official repository for discrete Walk-Jump Sampling (dWJS)☆55Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆48Updated last year
- ☆39Updated last year
- PyTorch implementation for our paper "Proximal Exploration for Model-guided Protein Sequence Design"☆36Updated last year
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆29Updated last year
- ☆56Updated 2 years ago