MolecularAI /

REINVENT4

Small molecules · Molecule generation
★
860
Updated
8w ago
Licence
Apache
Published
2024
Language
Python

Summary

De novo molecular design and optimization

Input and output

Details

Access
Code link found

The paper or list names a code repository. The repository itself was not opened.

Usage signal
★ 860 · Python

Last commit 2026-09-02

Published
2024

The year the source list gave; the exact date was not checked.

Identifiers
  • doi:10.1021/acs.jmedchem.4c01034
  • doi:10.1186/s13321-024-00812-5
  • doi:10.26434/chemrxiv-2023-xt65x

Same subject and task

More in Explore →

huawei-noah /HEBO

Bayesian optimisation & Reinforcement Learning library developed by Huawei Noah's Ark Lab

Small molecules · Molecule generationI/O not stated

★ 2.8k · Updated 8mo ago · Licence unknown

molecularsets /moses

Molecular generation model benchmark

Small molecules · Molecule generation

★ 989 · Updated 2y ago · MIT

molecularsets /PCF-VAE

Molecular generation benchmarking platform

Small molecules · Molecule generation

★ 989 · Updated 2y ago · MIT

insilicomedicine /gentrl

Generative Tensorial Reinforcement Learning (GENTRL) model

Small molecules · Molecule generationI/O not stated

★ 639 · Updated 2y ago · Licence unknown

RosettaCommons /RosettaAMRLD

Biomacromolecule structure modeling

Small molecules · Molecule generation

★ 470 · Updated 6w ago · Licence unknown

wengong-jin /hgraph2graph

Hierarchical motif-based molecular graph generation

Small molecules · Molecule generation

★ 444 · Updated 4y ago · MIT