THUNLP-MT / PepGLADLinks
Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
☆85Updated 3 months ago
Alternatives and similar repositories for PepGLAD
Users that are interested in PepGLAD are comparing it to the libraries listed below
Sorting:
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆83Updated last month
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆113Updated 4 months ago
- ☆29Updated 3 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- Papers about Structure-based Drug Design (SBDD)☆118Updated 7 months ago
- ☆91Updated 9 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆96Updated 2 years ago
- Official repository for MolCRAFT series☆104Updated this week
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆33Updated 2 weeks ago
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆61Updated 10 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆58Updated last year
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆75Updated last year
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆43Updated last week
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆36Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 11 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆98Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆111Updated last year
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆95Updated 3 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆88Updated last year
- ☆106Updated 2 years ago
- Official repository of ReactZyme☆34Updated 9 months ago
- ☆73Updated 5 months ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆134Updated 4 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆67Updated 7 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆64Updated 11 months ago
- Generative modeling of molecular dynamics trajectories☆158Updated 3 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆40Updated 7 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆53Updated last month
- Code and Pre-Trained Models for "AttnPacker: An end-to-end deep learning method for protein side-chain packing"☆85Updated last year