BioinfoMachineLearning / GCPNetLinks
A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)
☆47Updated 5 months ago
Alternatives and similar repositories for GCPNet
Users that are interested in GCPNet are comparing it to the libraries listed below
Sorting:
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆46Updated 10 months ago
- ☆27Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆50Updated 3 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆47Updated 2 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆35Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated last month
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆64Updated 4 months ago
- protein structure generation with sparse all-atom denoising models☆40Updated 2 weeks ago
- A benchmark for 3D biomolecular structure prediction models☆66Updated 4 months ago
- Structural Quality Assessment for Biomolecular Structure Prediction Models☆51Updated last week
- PoseX: A Molecular Docking Benchmark☆49Updated 3 months ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 8 months ago
- ☆29Updated 3 months ago
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆30Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆66Updated 6 months ago
- Code for the paper "Learning to engineer protein flexibility".☆22Updated 2 weeks ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- ☆49Updated 9 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆54Updated 4 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated this week
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆78Updated last year
- ☆32Updated last year
- pLM-informed E(3) equivariant deep graph neural networks for protein-nucleic acid binding site prediction☆22Updated last year
- Structure prediction of alternative protein conformations☆79Updated 7 months ago
- protein conformational spaces meet machine learning☆47Updated 3 months ago
- ☆15Updated last year
- code for SeqDance/ESMDance, biophysics-informed protein language models☆40Updated 6 months ago