
REINVENT4
by MolecularAI (organization)
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization. (description from the project’s GitHub page)
Repository facts
- Stars
- 878
- Forks
- 235
- Open issues and pull requests
- 1
- Primary language
- Python
- License
- Apache License 2.0 (Apache-2.0)
- Owner
- MolecularAI · Organization
- Created
- Oct 20, 2023
- Last push
- Oct 13, 2026
Topics
Related projects
Projects that share this one’s GitHub topics.
Rank 5,092: mims-harvard/TDC
Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science
1,298 starsJupyter NotebookMITLast push Jul 13, 2025
Rank 3,046: chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
2,505 starsPythonOther licenseLast push Sep 1, 2026
Rank 2,069: ashishpatel26/Andrew-NG-Notes
This is Andrew NG Coursera Handwritten Notes.
3,837 starsJupyter NotebookNo license file detectedLast push Aug 1, 2025
Rank 7,369: Mariewelt/OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
754 starsPythonMITLast push Nov 26, 2023
Rank 7,013: awslabs/dgl-lifesci
Python package for graph neural networks in chemistry and biology
812 starsPythonApache-2.0Last push Nov 1, 2023
Rank 7,168: AstraZeneca/chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
786 starsPythonApache-2.0Last push Sep 11, 2023