[ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
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Updated
Apr 24, 2024 - Python
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3d-molecules-models
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[AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design
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Updated
Mar 31, 2024 - Python
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.
deep-learning
chemistry
scikit-learn
protein-structure
fusion
molecular-simulation
ligand-screening
3d-molecules-models
llnl
tensorflow2
covid-19
sars-cov-2
covid19-data
llnl-open-source
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Updated
May 20, 2023 - Jupyter Notebook
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