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followers: 22.0 following: 11.0 repos: 106.0 gists: 0.0

Name: Jonghwan Choi

Type: User

Company: Hallym University

Bio: Assistant Professor in Hallym University. I am interested in developing machine learning models for Cheminformatics

Location: Korea, Republic of

Blog: sites.google.com/view/hallym-abclab

Jonghwan Choi's Projects

3d-emgp

[AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"

accurate-prediction-prognosis

Accurate prediction of cancer prognosis by exploiting patient-specific cancer driver genes

admet_xgboost

Accurate ADMET Prediction with XGBoost

affinity2vec

Drug-target binding affinity prediction using representation learning, graph mining, and machine learning

aizynthfinder

A tool for retrosynthetic planning

biapi

"Bio publications API" using PubMED, PatentsView, genax.

bptok

MolGPT with Branch Permutation-based Tokenization of SMILES

bt4molgen

Back translation for molecule generation (bioinformatics 2022)

charm

Machine learning for cryosection pathology predicts the 2021 WHO classification of glioma

chempixch

Recognising hand-drawn molecules with neural networks

chemprop

Message Passing Neural Networks for Molecule Property Prediction

chemtype2

The semi-unsupervised version of the molecule recognition engine, chemtype.

coma

COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses

constrained-graph-variational-autoencoder

Sample code for Constrained Graph Variational Autoencoders

cpr

Identification of heterogeneous biomarkers for breast cancer using Clustering and PageRank algorithms (bioinformatics)

curiosity_chemical_space

Thiede, Luca A., et al. "Curiosity in exploring chemical spaces: intrinsic rewards for molecular reinforcement learning." Machine Learning: Science and Technology 3.3 (2022): 035008.

dci-pytorch

The pytorch implementation of decoupling representation learning and classification for GNN-based anomaly detection.

ddpm

Denoising Diffusion Probabilistic Models

decimer-image_transformer

DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer

deep-image-prior

Image restoration with neural networks but without learning.

deepdta

Öztürk, Hakime, Arzucan Özgür, and Elif Ozkirimli. "DeepDTA: deep drug–target binding affinity prediction." Bioinformatics 34.17 (2018): i821-i829.

deepfmpo

Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"

deeppurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

denoising-diffusion-pytorch

Implementation of Denoising Diffusion Probabilistic Model in Pytorch

dgl-lifesci

Python package for graph neural networks in chemistry and biology

diffsbdd

A Euclidean diffusion model for structure-based drug design.

diffumol

Hitting Stride by Degrees: Fine Grained Molecular Generation via Diffusion Model

drugexv2

Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology

electra-dta

ELECTRA-DTA: a new compound-protein binding affinity prediction model based on the contextualized sequence encoding

fpadmet

https://gitlab.com/vishsoft/fpadmet

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Jonghwan Choi's Projects

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