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Ikemen Mas Kot's Projects

kcf-s icon kcf-s

KCF-S distribution ver1.0 : KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics. See the original paper at https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4029371/ http://onlinelibrary.wiley.com/doi/10.1002/minf.201400066/abstract

kcf-s_distribution-v0.1 icon kcf-s_distribution-v0.1

KCF-S distribution ver0.1 : KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics. See the original paper at https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4029371/

kcfconvoy icon kcfconvoy

Python package to convert KCF chemical substructure fingerprints

mao-seminar icon mao-seminar

書籍「わかばちゃんと学ぶGit使い方入門」内で使う、ゼミのWebサイトのソースコードです。プルリクエストの練習は「pull-request-practiceリポジトリ」で行ってください。URL: https://github.com/elmas3/pull-request-practice

mfapy icon mfapy

A python toolbox for 13C metabolic flux analysis

minituna icon minituna

A toy hyperparameter optimization framework intended for understanding Optuna's internal design.

moldata icon moldata

A Molecular Benchmark for Disease and Target Based Machine Learning

neupred icon neupred

Implementation codes for "A flexible Bayesian regression approach for accurate polygenic risk prediction"

neuraldecipher icon neuraldecipher

Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert

nyutron icon nyutron

public code repository for paper "Health system scale language models are general purpose clinical prediction engines"

pacha icon pacha

PACHA is a chemical graph alignment software. Given two chemical compounds represented as small graphs, PACHA outputs an alignment, a.k.a atom-atom mapping, between two compounds. Graph alignements are useful for building from a compound-compound pair a feature vector that can be used for an input of machine learning, e.g., support vector machine. Main applications are reconstructions of metabolic pathway, virtual screening and so forth.

pull-request-practice icon pull-request-practice

書籍「わかばちゃんと学ぶGit使い方入門」のプルリクエスト練習用リポジトリです。自由にプルリクを送ってください!マージします。🔰このリポジトリは誰でもフォーク・クローンができる公開リポジトリです。コミット情報に名前とメールアドレスを記録したくない方は、SourceTreeの[設定]アイコン > [高度な設定]タブ( Windows版だと [詳細]タブ) > [ユーザー情報]欄から、ユーザー名を「ニックネーム」・メールアドレスを「自分のアカウント名@users.noreply.github.com」にしてから練習してくださいね

pycaret icon pycaret

An open-source, low-code machine learning library in Python

pyhgt icon pyhgt

Code for "Heterogeneous Graph Transformer" (WWW'20), which is based on pytorch_geometric

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