Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
☆1,261Jul 13, 2025Updated 11 months ago
Alternatives and similar repositories for TDC
Users that are interested in TDC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)☆1,166Jun 10, 2024Updated 2 years ago
- A powerful and flexible machine learning platform for drug discovery☆1,584Aug 12, 2024Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆2,395Jun 12, 2026Updated 3 weeks ago
- Python package for graph neural networks in chemistry and biology☆805Nov 1, 2023Updated 2 years ago
- Protein Graph Library☆1,179May 25, 2026Updated last month
- 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.
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆979Jul 8, 2024Updated last year
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆6,817Jun 22, 2026Updated last week
- ATOM3D: tasks on molecules in three dimensions☆319Mar 2, 2023Updated 3 years ago
- A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)☆781Sep 11, 2023Updated 2 years ago
- Benchmarks for generative chemistry☆524Feb 11, 2024Updated 2 years ago
- ☆232May 23, 2024Updated 2 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆546Feb 19, 2025Updated last year
- Descriptor computation(chemistry) and (optional) storage for machine learning☆281Oct 26, 2024Updated last year
- Graph neural networks for molecular design.☆381Mar 11, 2023Updated 3 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.
- Open Drug Discovery Toolkit☆466Dec 13, 2022Updated 3 years ago
- Molecular Processing Made Easy.☆539May 20, 2026Updated last month
- pythonic interface to virtual screening software☆92Sep 4, 2025Updated 10 months ago
- ☆375May 24, 2025Updated last year
- ☆99Dec 19, 2022Updated 3 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆234Jul 15, 2022Updated 3 years ago
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆439Jun 28, 2022Updated 4 years ago
- Official Repository for the Uni-Mol Series Methods☆1,121May 29, 2025Updated last year
- A deep learning framework for molecular docking☆943Jun 21, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆852May 17, 2025Updated last year
- The official sources for the RDKit library☆3,497Jun 26, 2026Updated last week
- OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research☆747Nov 26, 2023Updated 2 years ago
- Explainer for black box models that predict molecule properties☆354Apr 1, 2026Updated 3 months ago
- Scoring of shape and ESP similarity with RDKit☆235Aug 19, 2025Updated 10 months ago
- CReM: chemically reasonable mutations framework☆276Jun 17, 2026Updated 2 weeks ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆499Oct 27, 2024Updated last year
- Interactive molecule viewer for 2D structures☆256Dec 27, 2025Updated 6 months ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆335Jul 20, 2021Updated 4 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.
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,535May 2, 2025Updated last year
- Practical Cheminformatics Tutorials☆1,272May 2, 2026Updated 2 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,027Updated this week
- GEOM: Energy-annotated molecular conformations☆252Apr 24, 2022Updated 4 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆389Apr 17, 2024Updated 2 years ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 2 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆290Jun 3, 2026Updated last month