Dunni3 / keypoint-diffusion
A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.
☆27Updated last year
Alternatives and similar repositories for keypoint-diffusion:
Users that are interested in keypoint-diffusion are comparing it to the libraries listed below
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆54Updated 8 months ago
- In-silico design pipeline for evaluating protein structure diffusion models.☆20Updated 6 months ago
- ☆26Updated 3 months ago
- ☆31Updated 8 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated 10 months ago
- dMaSIF implementation for google colab☆29Updated last year
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆63Updated this week
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆35Updated 2 weeks ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆46Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 2 weeks ago
- Generative method to design novel proteins using a diffusion model☆43Updated last year
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆28Updated last year
- This repo contains the results data for Round 1 of Adaptyv Bio’s EGFR Protein Design Competition.☆33Updated last month
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆59Updated last month
- ☆29Updated 6 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆36Updated 6 months ago
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆20Updated 5 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆31Updated last month
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆43Updated this week
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated 5 months ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 2 years ago
- Differentiable Pairing using Alignment-based Language Models☆17Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆59Updated 3 weeks ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆87Updated last month
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆53Updated 7 months ago
- This repository implements Gibbs sampling with Graph-based Smoothing☆36Updated 7 months ago
- Molecular Out-Of-Distribution☆36Updated 11 months ago
- ISMB-24/Bioinformatics: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models☆34Updated 2 months ago
- ☆38Updated last month
- protein backbone refinement☆15Updated 4 months ago