ribesstefano / PROTAC-Degradation-PredictorView external linksLinks
Predicting PROTAC protein degradation activity via machine learning.
☆15Sep 17, 2025Updated 4 months ago
Alternatives and similar repositories for PROTAC-Degradation-Predictor
Users that are interested in PROTAC-Degradation-Predictor are comparing it to the libraries listed below
Sorting:
- ☆58Mar 14, 2023Updated 2 years ago
- UROP Project @ Coley Group☆27Jan 22, 2023Updated 3 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- ☆26Oct 31, 2022Updated 3 years ago
- Examples of MolScore implementations☆11May 30, 2024Updated last year
- ☆13Oct 6, 2024Updated last year
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 2 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆15Jan 24, 2026Updated 3 weeks ago
- ☆17Sep 30, 2025Updated 4 months ago
- ☆41Nov 2, 2024Updated last year
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Updated this week
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 2 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- ☆15Apr 14, 2023Updated 2 years ago
- GSoC 2020 project to integrate the RDKit and MongoDb☆16Apr 8, 2024Updated last year
- Rust wrapper for the RDKit using CFFI☆16Dec 27, 2025Updated last month
- ☆17Feb 8, 2024Updated 2 years ago
- Molecular Structure Generation☆34Aug 13, 2024Updated last year
- ☆16Oct 28, 2019Updated 6 years ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆40Jul 17, 2025Updated 6 months ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 4 years ago
- Ideas for chemical similarity searches in MongoDB.☆27Feb 8, 2015Updated 11 years ago
- ☆26May 14, 2025Updated 9 months ago
- ☆26Jul 3, 2024Updated last year
- Code for memory-assisted reinforcement learning☆24Oct 19, 2020Updated 5 years ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆27Nov 28, 2024Updated last year
- A graph-based workflow manager for computational chemistry pipelines☆69Mar 27, 2025Updated 10 months ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Nov 12, 2022Updated 3 years ago
- 19th place solution in "Predicting Molecular Properties"☆25Jan 1, 2020Updated 6 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆24May 18, 2024Updated last year
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆31Jan 5, 2023Updated 3 years ago
- ☆28Sep 30, 2022Updated 3 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 4 years ago
- ☆24Mar 25, 2024Updated last year
- Kinase-focused fragment library☆67Jan 28, 2026Updated 2 weeks ago
- Collection of scripts / notebooks to reliably select datasets☆29Jan 28, 2024Updated 2 years ago
- An Interactive Map of Biochemical Similarity in Molecular Datasets. The document: http://chemtreemap.readthedocs.org/en/latest/ . The pro…☆30Apr 10, 2017Updated 8 years ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆34Oct 15, 2020Updated 5 years ago