Projects in Awesome Lists by SeonghwanSeo
A curated list of projects in awesome lists by SeonghwanSeo .
https://github.com/seonghwanseo/pharmaconet
Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
deep-learning drug-discovery instance-segmentation machine-learning pharmacophore pharmacophore-modelling virtual-screening
Last synced: 12 May 2025
https://github.com/seonghwanseo/bbar
Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
drug-discovery generative-model graph-neural-networks molecule-generation synthetic-accessibility
Last synced: 14 May 2025
https://github.com/seonghwanseo/openpharmaco
Open-source protein-based pharmacophore modeling software
deep-learning drug-discovery machine-learning pharmacophore-modelling protein-based-pharmacophore-modelling virtual-screening
Last synced: 14 May 2025
https://github.com/seonghwanseo/deepdl
Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
Last synced: 14 May 2025
https://github.com/seonghwanseo/rxnflow
Synthesis-oriented GFlowNets on a large action space (ICLR 2025)
drug-design gflownet molecule-optimization synthesizability
Last synced: 12 Apr 2025
https://github.com/seonghwanseo/molvoxel
Easy-to-Use Molecular Voxelization Tool
3d-image bioinformatics chemistry molecule protein-ligand-complex protein-structure python representation voxelization voxelizer
Last synced: 28 Apr 2025
https://github.com/seonghwanseo/bayesiangcn
Uncertainty quantification of molecular property prediction using Bayesian deep learning
Last synced: 12 Apr 2025