blt2114 / ProtDiff_SMCDiff
Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/abs/2206.04119
☆71Updated last year
Alternatives and similar repositories for ProtDiff_SMCDiff:
Users that are interested in ProtDiff_SMCDiff are comparing it to the libraries listed below
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆99Updated 9 months ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆57Updated 4 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆91Updated 6 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆91Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆73Updated 7 months ago
- ☆81Updated 4 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆70Updated 11 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆43Updated last week
- This repository implements Gibbs sampling with Graph-based Smoothing☆37Updated 8 months ago
- ☆105Updated last year
- ☆66Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆77Updated 9 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 3 weeks ago
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆40Updated 5 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆85Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆43Updated 6 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆81Updated last year
- Structure-conditioned masked language modeling for protein sequence design☆61Updated last year
- RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching☆53Updated 6 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 7 months ago
- ☆62Updated 2 years ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆54Updated last year
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆96Updated 4 months ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆39Updated last year
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆31Updated last year
- diffusion model for protein sequence generation☆48Updated last year
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆65Updated 3 months ago
- ☆21Updated 2 weeks ago
- Pose checks for 3D Structure-based Drug Design methods☆78Updated 3 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated 11 months ago