GitHub topics: synthesizability
neo-chem-synth-wave/ncsw-data
The NeoChemSynthWave: Data project.
Language: Jupyter Notebook - Size: 1.01 MB - Last synced at: 26 days ago - Pushed at: 26 days ago - Stars: 3 - Forks: 0
SeonghwanSeo/RxnFlow
Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)
Language: Python - Size: 5.86 MB - Last synced at: about 1 month ago - Pushed at: 3 months ago - Stars: 20 - Forks: 1
neo-chem-synth-wave/ncsw-chemistry
The NeoChemSynthWave: Chemistry project.
Language: Python - Size: 221 KB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 1 - Forks: 1
patonlab/molcomplex
Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics
Language: Roff - Size: 69.7 MB - Last synced at: 1 day ago - Pushed at: 10 months ago - Stars: 14 - Forks: 2
neo-chem-synth-wave/synthesizability
The computer-assisted synthesizability research project.
Language: Python - Size: 10.7 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0
jcathalina/Rxitect
A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SELFIES guided by modern retrosynthesis tools to increase synthetic accessibility of de-novo designed drugs.
Language: Python - Size: 221 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 5 - Forks: 3
