REINVENT4
importedtherapeutics/reinvent4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- active
- Maturity
- deployed
- Organization
- MolecularAI
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/MolecularAI/REINVENT4
- Documentation
- unknown
- Tags
- ai · astrazeneca · cheminformatics · chemistry · deep-learning · denovo-design · drug-design · drug-discovery
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- MolCraftDiffusioncheminformatics · chemistry · denovo-design · drug-design · drug-discovery
A generative AI framework for 3D molecular generation and data-driven molecular design in computational chemistry.
- atom-bond-featurizerastrazeneca · cheminformatics · chemistry
A Python package for the calculation of features and descriptors for atoms and bonds in molecules.
- boltzgendenovo-design · drug-design · drug-discovery
BoltzGen: Toward Universal Binder Design
- Posedenovo-design · drug-design · drug-discovery
A bare-metal Python library for building and manipulating the molecular structures of proteins, nucleic acids, and small organic molecules
- reinvent-UIcheminformatics · chemistry · drug-design · drug-discovery
An interactive web-based UI app for REINVENT that enables users to generate input files for running REINVENT calculations.
- aizynthfinderastrazeneca · cheminformatics
A tool for retrosynthetic planning
- api.github.com/repos/MolecularAI/REINVENT4retrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-06-22, 830 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/4.json→ .entries["reinvent4"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.