Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by MolecularAI
A curated list of projects in awesome lists by MolecularAI .
https://github.com/MolecularAI/aizynthfinder
A tool for retrosynthetic planning
astrazeneca chemical-reactions cheminformatics monte-carlo-tree-search neural-networks reaction-informatics
Last synced: 30 Jul 2024
https://github.com/MolecularAI/GraphINVENT
Graph neural networks for molecular design.
Last synced: 03 Aug 2024
https://github.com/MolecularAI/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
ai astrazeneca cheminformatics chemistry deep-learning denovo-design drug-design drug-discovery generative-ai ml molecule-generation neural-networks reinforcement-learning transfer-learning
Last synced: 03 Aug 2024
https://github.com/MolecularAI/deep-molecular-optimization
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
molecular-optimization multi-property-optimization seq2seq transformer
Last synced: 03 Aug 2024
https://github.com/MolecularAI/DockStream
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
astrazeneca chemoinformatics denovo-design jupyter-notebook molecular-docking reinforcement-learning
Last synced: 03 Aug 2024