ELELAB / PDBminerLinks
scripts to find PBD structures for cancer driver proteins
☆31Updated last week
Alternatives and similar repositories for PDBminer
Users that are interested in PDBminer are comparing it to the libraries listed below
Sorting:
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- Lightweight induced fit docking☆21Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated last week
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 2 months ago
- ☆41Updated 8 months ago
- ☆37Updated 2 years ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆70Updated last week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆44Updated 5 months ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆60Updated 11 months ago
- ☆54Updated 8 months ago
- Code for ApoDock☆21Updated 8 months ago
- ☆52Updated 6 months ago
- ☆13Updated 2 years ago
- Modelling protein conformational landscape with Alphafold☆54Updated 3 months ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆22Updated 9 months ago
- Making Protein folding accessible to all!☆24Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 5 months ago
- bakerlab pymol scripts☆25Updated 5 years ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated last week
- ☆21Updated 8 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆13Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 8 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 5 months ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆28Updated 8 months ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- A Python framework for the rapid modeling of glycans☆17Updated last month
- Fully automated high-throughput MD pipeline☆84Updated 3 months ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x☆28Updated this week