NilsDunlop / PROTACFoldLinks
A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
☆22Updated this week
Alternatives and similar repositories for PROTACFold
Users that are interested in PROTACFold are comparing it to the libraries listed below
Sorting:
- ☆25Updated 11 months ago
- ☆26Updated 2 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆18Updated 5 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆27Updated last month
- ☆48Updated last month
- ☆37Updated 3 months ago
- Cloud GPU supported NAMD3-based binding free energy difference between two small molecules against the same protein target. This is prob…☆25Updated 2 years ago
- ☆21Updated 4 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 8 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- ☆17Updated 3 weeks ago
- ☆27Updated 5 months ago
- ☆28Updated last month
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆19Updated 3 weeks ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆25Updated 3 months ago
- ☆17Updated 2 years ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆16Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- ☆23Updated 10 months ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆26Updated 3 months ago
- Deep Binding Structure RMSD Prediction☆22Updated 4 years ago
- ☆12Updated 3 years ago
- ☆36Updated 3 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆15Updated 3 weeks ago
- ☆13Updated 3 years ago
- ☆18Updated 11 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- ☆32Updated 2 years ago