ikalvet / heme_binder_design
☆8Updated last year
Related projects ⓘ
Alternatives and complementary repositories for heme_binder_design
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 3 weeks ago
- scripts to find PBD structures for cancer driver proteins☆29Updated 8 months ago
- Small_molecule_binder_design_use_pseudocycles☆14Updated this week
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆29Updated last month
- Rosetta Funclib☆20Updated 4 years ago
- ☆13Updated last year
- ☆16Updated 6 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆34Updated 4 months ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆38Updated last week
- ☆31Updated 7 months ago
- Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.☆11Updated 3 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆48Updated 10 months ago
- ☆42Updated 4 months ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆21Updated 5 years ago
- Code release for "Improving diffusion-based protein backbone generation with global-geometry-aware latent encoding"☆11Updated 2 weeks ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆25Updated last month
- DLPacker☆28Updated 2 months ago
- ☆20Updated last month
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆17Updated 9 months ago
- DyNoPy☆11Updated 2 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆12Updated 2 weeks ago
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆21Updated 4 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆27Updated 5 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆29Updated last year
- Code for humanization of antibody and nanobody☆23Updated 3 weeks ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆23Updated 3 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆37Updated 6 months ago
- ☆11Updated last year