BioinfoMachineLearning / GCPNetLinks
A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)
☆47Updated 4 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
- ☆27Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆50Updated 2 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆35Updated last year
- protein structure generation with sparse all-atom denoising models☆36Updated last month
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated last month
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 8 months ago
- Code for the paper "Learning to engineer protein flexibility".☆22Updated last week
- Predicting mutational effects on protein binding from folding energy. ICML 2025.☆28Updated last month
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆64Updated 3 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- A benchmark for 3D biomolecular structure prediction models☆65Updated 4 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆46Updated 9 months ago
- ☆29Updated 3 months ago
- ☆31Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆78Updated last year
- ☆78Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆47Updated last month
- Tool for modelling the CDRs of antibodies☆32Updated 2 years ago
- ☆48Updated 8 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆66Updated 5 months ago
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆56Updated last year
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆30Updated last year
- Benchmarking code accompanying the release of `bioemu`☆43Updated 2 months ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated last year
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Updated 2 years ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆31Updated last month
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year