ACE-KAIST

Intelligent Chemistry Lab

KAIST

Pinned Repositories

BBAR
Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
Language:Jupyter Notebook00
DeepBioisostere
Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
Language:Jupyter Notebook0 0 00
DeepDL
Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
Language:Python0 0 00
DeepICL
Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
Language:Python56 0 07
dot
Dot files
Language:Shell1 1 00
PharmacoNet
Official Github for "PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling" (NeurIPS 2023 Workshop)
Language:Python0 0 00
PIGNet
PIGNet source code
Language:Python52 5 218
PIGNet2
Language:Python11 0 05

ACE-KAIST/DeepICL
Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
Language:Python56 0 07
ACE-KAIST/PIGNet
PIGNet source code
Language:Python52 5 218
ACE-KAIST/PIGNet2
Language:Python11 0 05
ACE-KAIST/dot
Dot files
Language:Shell1 1 00
ACE-KAIST/BBAR
Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
Language:Jupyter Notebook00
ACE-KAIST/DeepBioisostere
Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
Language:Jupyter Notebook0 0 00
ACE-KAIST/DeepDL
Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
Language:Python0 0 00
ACE-KAIST/PharmacoNet
Official Github for "PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling" (NeurIPS 2023 Workshop)
Language:Python0 0 00