3d-molecules-models

There are 0 repository under 3d-molecules-models topic.

YangLing0818 / IPDiff
[ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
3d-molecules-models diffusion-models molecule-generation
Language:Python 14
YangLing0818 / BindDM
[AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design
3d-molecules-models diffusion-models protein-ligand-interactions sbdd
Language:Python 9
YangLing0818 / IRDiff
[ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
3d-molecules-models diffusion-models molecule-generation protein-ligand-binding-affinity protein-ligand-docking protein-ligand-interactions
2
marinadunn / covid19-drug-screening-ML
Developed as part of the Lawrence Livermore National Laboratory Data Science Summer Institute 2022 Challenge Problem. Screening molecular inhibitors for SARS-CoV-2 protein targets with Deep Learning Models.
3d-molecules-models chemistry covid-19 covid19-data deep-learning fusion ligand-screening molecular-simulation protein-structure sars-cov-2 llnl llnl-open-source scikit-learn tensorflow2
Language:Jupyter Notebook 0

YangLing0818 / IPDiff