gersteinlab / BC-DesignLinks
BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding https://www.biorxiv.org/content/10.1101/2024.10.28.620755v2
☆17Updated last week
Alternatives and similar repositories for BC-Design
Users that are interested in BC-Design are comparing it to the libraries listed below
Sorting:
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆50Updated last week
- ☆31Updated 5 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆36Updated 2 months ago
- ☆92Updated 10 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆43Updated 9 months ago
- Learning Harmonic Molecular Representations on Riemannian Manifold, ICLR, 2023☆23Updated 2 years ago
- ☆13Updated 8 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆51Updated last year
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆89Updated 3 months ago
- Implementation of MapDiff: "Mask-prior-guided denoising diffusion improves inverse protein folding" in PyTorch☆37Updated last month
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆91Updated 4 months ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆53Updated last year
- ☆46Updated 3 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"☆16Updated 3 months ago
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆118Updated 6 months ago
- ☆76Updated 6 months ago
- Official code for "Integration of pre-trained protein language models into geometric deep learning networks"☆21Updated 2 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆103Updated last year
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆59Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆73Updated 2 weeks ago
- Official repository for MolCRAFT series☆114Updated last month
- Official Implementation of IgGM☆80Updated last week
- Papers about Structure-based Drug Design (SBDD)☆120Updated 8 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆117Updated 2 months ago
- ☆107Updated 2 years ago
- Official repository of EnzymeFlow☆93Updated 9 months ago
- An awesome & curated list of docking papers☆113Updated 5 months ago
- Official repository of ReactZyme☆36Updated 10 months ago