jdp22 / CP-Composer_finalLinks
Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》, which has been accepted to ICML2025.
☆20Updated 3 months ago
Alternatives and similar repositories for CP-Composer_final
Users that are interested in CP-Composer_final are comparing it to the libraries listed below
Sorting:
- ☆79Updated last year
- ☆33Updated 8 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆46Updated 11 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆91Updated 2 weeks ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- Reaction-Conditioned Virtual Screening of Enzymes☆40Updated 5 months ago
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆63Updated last month
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆110Updated 2 years ago
- my own studied materials and scripts☆55Updated last month
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆117Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Code for humanization of antibody and nanobody☆63Updated 2 months ago
- ☆33Updated last year
- Pretrainable geometric graph neural network for antibody affinity maturation☆66Updated 8 months ago
- ☆39Updated last year
- ☆76Updated 9 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆155Updated last week
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆16Updated last year
- ☆38Updated 5 months ago
- ☆27Updated last year
- ☆70Updated last year
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- PoseX: A Molecular Docking Benchmark☆59Updated 4 months ago
- ☆95Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆116Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- 3D_Molecular_Generation☆101Updated 11 months ago
- ☆26Updated last year