Predicting PROTAC protein degradation activity via machine learning.
☆17Sep 17, 2025Updated last year
Alternatives and similar repositories for PROTAC-Degradation-Predictor
Users that are interested in PROTAC-Degradation-Predictor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PROTAC-Splitter: a machine learning framework designed for automated annotation of PROTAC substructures.☆31Updated this week
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆14Oct 6, 2025Updated last year
- Language-model-Assisted Generation Of Metabolites☆12Jul 11, 2025Updated last year
- UROP Project @ Coley Group☆27Jan 22, 2023Updated 3 years ago
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆45Jul 17, 2025Updated last year
- ☆67Mar 14, 2023Updated 3 years ago
- ☆15Apr 14, 2023Updated 3 years ago
- ☆28Oct 31, 2022Updated 4 years ago
- ☆11Oct 3, 2026Updated last month
- ☆11Jun 13, 2023Updated 3 years ago
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- Jupyter Notebook Tutorials for Machine Learning in Chemistry (MLChem)☆20Jan 25, 2026Updated 9 months ago
- ☆22Apr 9, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- [NeurIPS 2025] CellCLIP – Learning Perturbation Effects in Cell Painting via Text-Guided Contrastive Learning☆17Apr 7, 2026Updated 6 months ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Nov 12, 2022Updated 3 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 4 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆51Mar 11, 2024Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Molecular Structure Generation☆35Aug 13, 2024Updated 2 years ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆17Oct 2, 2026Updated last month
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated last year
- ☆41Nov 2, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- This repository provides the scripts to generate and analyze the LOBSTER dataset of small molecule superpositions. The dataset is availab…☆12Nov 18, 2024Updated last year
- ☆26Jul 14, 2024Updated 2 years ago
- ☆15Aug 22, 2026Updated 2 months ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Ideas for chemical similarity searches in MongoDB.☆28Feb 8, 2015Updated 11 years ago
- MolWall: "Wall of molecules" interface to see and rate molecules☆13Mar 15, 2023Updated 3 years ago
- Alchemical mutation scoring map☆11May 19, 2024Updated 2 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆26May 18, 2024Updated 2 years ago
- Massively multitask stacked model for predicting activity of thousands of biological assays☆38Aug 24, 2021Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆26Oct 24, 2026Updated last week
- ☆10Jul 30, 2024Updated 2 years ago
- RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-Gra…☆80May 11, 2023Updated 3 years ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆29Aug 18, 2024Updated 2 years ago
- Code used to mine surfaces.☆37Feb 23, 2025Updated last year
- UQ4DD: Uncertainty Quantification for Drug Discovery☆19Aug 4, 2025Updated last year
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆85May 29, 2026Updated 5 months ago