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.
☆21Updated 5 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:
- ☆35Updated 10 months ago
- ☆82Updated 2 years ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆47Updated last year
- my own studied materials and scripts☆58Updated last week
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆104Updated 3 weeks ago
- ☆77Updated 11 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated 2 years ago
- Reaction-Conditioned Virtual Screening of Enzymes☆41Updated 7 months ago
- design pipeline for protein, nucleic acid, and small molecule☆30Updated this week
- ☆45Updated 7 months ago
- Pretrainable geometric graph neural network for antibody affinity maturation☆70Updated 10 months ago
- Code for humanization of antibody and nanobody☆70Updated 4 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆111Updated 2 years ago
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆80Updated last month
- 📈 Fusion of sequence, structure and feature information to improve protein solubility prediction (IEEE BIBM 2024).☆25Updated 8 months ago
- ☆55Updated 4 months ago
- ☆74Updated 2 years ago
- ☆89Updated 3 weeks ago
- Token-Mol 1.0：tokenized drug design with large language model☆61Updated last month
- ☆33Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆124Updated last month
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆102Updated this week
- Official repository of GENzyme☆60Updated last year
- ☆39Updated 7 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 3 months ago
- AbBiBench (Antibody Binding Benchmarking), a benchmarking framework for optimizing antibody binding affinity.☆35Updated 3 months ago
- VenusFSFP: Few-Shot Protein Fitness Prediction☆106Updated 2 months ago