Hojae Choi's repositories
KDD-Cup21-PCQM4M
codes for KDD Cup 21 PCQM4M competetion.
aiffel_projects
project submission for aiffel
alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
awesome-molecular-docking
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
awesome-python-chemistry
A curated list of Python packages related to chemistry
awesome-small-molecule-ml
A curated list of resources for machine learning for small-molecule drug discovery
DeepAttentionPan
my version of DAP
deeplearning-biology
A list of deep learning implementations in biology
FS-Mol
FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of protein targets. The dataset is presented with a model evaluation benchmark which aims to drive few-shot learning research in the domain of molecules and graph-structured data.
BindingMOAD
Protein-ligand binding data that was available at BindingMOAD.org
dlthon-minions
AIFFEL 온라인 7기 DLthon 7팀의 레포지토리입니다
gazgiz-lab
zigzag lab
geom
GEOM: Energy-annotated molecular conformations
Geometry-Deep-Learning-for-Drug-Discovery-and-Life-Science
Geometry Deep Learning for Drug Discovery and Life Science
hojae-m-choi
Config files for my GitHub profile.
hojae-m-choi.github.io
github page for hojae choi
MolKGNN
MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. conformation-invariance 3. interpretability. MolKGNN uses a novel molecular convolution to leverage the similarity of molecular neighborhood and kernels. It shows superior results in realistic drug discovery datasets.
PepFun
Bioinformatics and Cheminformatics protocols for peptide analysis
TankBind
Open source code for TankBind. Galixir Tenchnologies