mathcom
Assistant Professor in Hallym University. I am interested in developing machine learning models for Cheminformatics
Hallym UniversityKorea, Republic of
Pinned Repositories
24-1_RL_class_TeamB
Now on Developing. Making Adam-Based Optimizer with Reinforcement Learning
24-1_RL_class_TeamC
Stock trading with Reinforcement Learning
24-1_RL_class_TeamD
각 사용자에게 맞는 개인화된 음식 추천을 위한 강화학습 알고리즘 개발
COMA
COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
CPR
Identification of heterogeneous biomarkers for breast cancer using Clustering and PageRank algorithms (bioinformatics)
G2Vec
G2Vec: Distributed gene representations for identification of cancer prognostic genes (Scientific Reports)
MolBit
De novo Drug Design via Binary Representations of SMILES for avoiding the Posterior Collapse Problem (BIBM 2021)
molgpt
Viraj Bagal, Rishal Aggarwal, P. K. Vinod, and U. Deva Priyakumar Journal of Chemical Information and Modeling 2022 62 (9), 2064-2076 DOI: 10.1021/acs.jcim.1c00600
ReBADD-SE
ReBADD-SE: Multi-objective molecular optimisation using SELFIES fragment and off-policy self-critical sequence training
RefDNN
RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)
mathcom's Repositories
mathcom/ReBADD-SE
ReBADD-SE: Multi-objective molecular optimisation using SELFIES fragment and off-policy self-critical sequence training
mathcom/24-1_RL_class_TeamB
Now on Developing. Making Adam-Based Optimizer with Reinforcement Learning
mathcom/24-1_RL_class_TeamC
Stock trading with Reinforcement Learning
mathcom/24-1_RL_class_TeamD
각 사용자에게 맞는 개인화된 음식 추천을 위한 강화학습 알고리즘 개발
mathcom/aizynthfinder
A tool for retrosynthetic planning
mathcom/24-1_RL_class_TeamE
내시경 시스템의 자율 제어 및 경로 최적화 프로그램
mathcom/24-1_RL_class_TeamF
강화학습 기반의 의료영상진단 - 종양진단 뇌파영상 분석
mathcom/24-1_RL_class_TeamH
강화학습을 활용한 금융 시장 투자 전략 개발
mathcom/24-1_RL_class_TeamI
Implement Music Recommendation System by DQN
mathcom/24-1_RL_class_TeamK
강화학습을 사용하여 특정 분자구조와 비슷한 새로운 분자구조 생성
mathcom/24-1_RL_class_TeamM
지진 시뮬레이션 강화학습
mathcom/24-1_RL_class_TeamN
Neural Network를 pruning 하기 위한 심층강화학습 기반 알고리즘 구현
mathcom/24-1_RL_class_TeamO
불법 드론 대응 드론을 위한 자율비행 시스템
mathcom/DCI-pytorch
The pytorch implementation of decoupling representation learning and classification for GNN-based anomaly detection.
mathcom/DECIMER-Image_Transformer
DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer
mathcom/DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
mathcom/FPADMET
https://gitlab.com/vishsoft/fpadmet
mathcom/GraphscoreDTA
A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity
mathcom/LLaMA-VS-GPT
Large Language Models in Molecular Embeddings
mathcom/MDF-DTA-A-Multi-Dimensional-Fusion-Approach-for-Drug-Target-Binding-Affinity-Prediction
Ranjan, Amit, et al. "MDF-DTA: A Multi-Dimensional Fusion Approach for Drug-Target Binding Affinity Prediction." Journal of Chemical Information and Modeling (2024).
mathcom/MEEA
Zhao, D., Tu, S. & Xu, L. Efficient retrosynthetic planning with MCTS exploration enhanced A* search. Commun Chem 7, 52 (2024). https://doi.org/10.1038/s42004-024-01133-2
mathcom/MoHIMA
MoHIMA: Molecular Handwritten IMage Augmentation using randepict
mathcom/Mol-AIR
Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.
mathcom/PharDiff
Source Code for CIKM2024 submission
mathcom/PIDiff
Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation
mathcom/pikachu
Python-based Informatics Kit for Analysing Chemical Units
mathcom/RanDepict
This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction styles and image augmentations) based on RDKit, CDK, Indigo and PIKAChU.
mathcom/SELFormer
SELFormer: Molecular Representation Learning via SELFIES Language Models
mathcom/spmm
Bidirectional generation of structure and properties through a single molecular foundation model
mathcom/stable-baselines3
PyTorch version of Stable Baselines, reliable implementations of reinforcement learning algorithms.