Hojae Choi's Projects
project submission for aiffel
Implementation of Alphafold 3 in Pytorch
A curated list of Cheminformatics libraries and software.
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
A curated list of Python packages related to chemistry
A curated list of resources for machine learning for small-molecule drug discovery
Protein-ligand binding data that was available at BindingMOAD.org
my version of DAP
A list of deep learning implementations in biology
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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.
zigzag lab
GEOM: Energy-annotated molecular conformations
Geometry Deep Learning for Drug Discovery and Life Science
Config files for my GitHub profile.
codes for KDD Cup 21 PCQM4M competetion.
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.
Bioinformatics and Cheminformatics protocols for peptide analysis
The implementation of the "Smoothed Gradients for Stochastic Variational Inference", Mandt S. and Blei D, 2014, NIPS. This project is based on the project of blei-lab/onlineldavb (https://github.com/blei-lab/onlineldavb)
React
Typescript
Django
Laravel
Facebook
Microsoft
Google
Alibaba
D3
Tencent