NilsDunlop / PROTACFoldLinks
A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
☆21Updated last 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
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- 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
- ☆45Updated 3 weeks 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
- ☆26Updated 5 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆25Updated 2 months ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆44Updated 3 weeks ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated last month
- ☆21Updated 3 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆25Updated 2 weeks ago
- ☆16Updated 11 months ago
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- ☆25Updated 2 weeks ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆15Updated last year
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆15Updated last year
- ☆26Updated 2 years ago
- ☆12Updated 3 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆25Updated last year
- ☆37Updated 2 months ago
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆18Updated last week
- Code Space of SynLlama☆17Updated last month
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆13Updated 9 months ago
- ☆35Updated 2 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 3 months ago
- ☆17Updated last week
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆16Updated 8 months ago
- ☆32Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year