Projects in Awesome Lists tagged with molecule-design
A curated list of projects in awesome lists tagged with molecule-design .
https://github.com/paddlepaddle/paddlehelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
biocomputing ddi deeplearning dti graph-networks machine-learning molecule-design ppi protein-design protein-docking protein-folding protein-structure-prediction representation-learning rna-structure-prediction self-supervised-learning
Last synced: 16 May 2025
https://github.com/PaddlePaddle/PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
biocomputing ddi deeplearning dti graph-networks machine-learning molecule-design ppi protein-design protein-docking protein-folding protein-structure-prediction representation-learning rna-structure-prediction self-supervised-learning
Last synced: 09 May 2025
https://github.com/lucidrains/evolutionary-design-molecules
Implementation of the algorithm detailed in paper "Evolutionary design of molecules based on deep learning and a genetic algorithm"
artificial-intelligence genetic-algorithms molecule-design neural-networks
Last synced: 05 May 2025
https://github.com/grimmlab/graphxform
Official code for the paper "GraphXForm: Graph transformer for computer-aided molecular design"
drug-design gumbeldore molecule-design self-improvement solvent-design
Last synced: 17 Jan 2026
