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Useful Resources for Molecule learning

Type
Resource
Language
๐Ÿ‡ฐ๐Ÿ‡ท
Latest checked date
2023/03/15
Status
Updating
1 more property

Introduction

Molecule modeling, graph learning ๋“ฑ์— ๋„์›€์ด ๋˜๋Š” ๋‹ค์–‘ํ•œ resource๋ฅผ ์ •๋ฆฌํ•˜๋Š” ํŽ˜์ด์ง€์ž…๋‹ˆ๋‹ค.
๊ดœ์ฐฎ์€ resource๋ฅผ ์ฐพ์„ ๋•Œ๋งˆ๋‹ค ์—…๋ฐ์ดํŠธ ์ค‘์ž…๋‹ˆ๋‹ค.

M2D2

Democratizing AI-Enabled Drug Discovery
https://m2d2.io/talks/m2d2/about/
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Molecular Modeling & Drug Discovery์˜ ์•ฝ์ž๋กœ, AI๋ฅผ ํ™œ์šฉํ•œ ๋ถ„์ž ๋ชจ๋ธ๋ง๊ณผ ์•ฝ๋ฌผ ๊ฐœ๋ฐœ์„ ์œ„ํ•œ ์ปค๋ฎค๋‹ˆํ‹ฐ๋ผ๊ณ  ํ•  ์ˆ˜ ์žˆ๋‹ค. Valence Discovery์™€ Mila ์—์„œ ํ•จ๊ป˜ ์ง„ํ–‰ํ•˜๋Š” ํ”„๋กœ์ ํŠธ์ด๋‹ค.
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๋งค์ฃผ ํ™”์š”์ผ๋งˆ๋‹ค Zoom session์œผ๋กœ ์ตœ์‹  ๋…ผ๋ฌธ๋“ค์˜ ์ €์ž๋“ค์ด ์ง์ ‘ ๋ณธ์ธ์˜ ๋…ผ๋ฌธ์„ ์†Œ๊ฐœํ•ด์ฃผ๊ณ , ์งˆ๋ฌธ๋„ ๋ฐ›๋Š”๋‹ค. ๋…ผ๋ฌธ์ด ์•„๋‹Œ talk์œผ๋กœ ์ง„ํ–‰๋˜๋Š” ์„ธ์…˜๋„ ์žˆ๋‹ค. ๊ฐ ์„ธ์…˜์€ ๋…นํ™”๋˜์–ด ์œ ํŠœ๋ธŒ์— ์˜ฌ๋ผ์˜จ๋‹ค.
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Conference์— accept๋œ ๋…ผ๋ฌธ ๋ฟ๋งŒ ์•„๋‹ˆ๋ผ, reject ๋˜์—ˆ๊ฑฐ๋‚˜ arxiv์—๋งŒ ์˜ฌ๋ผ์™€ ์žˆ์ง€๋งŒ ์ข‹์€ ์•„์ด๋””์–ด์˜ ๋…ผ๋ฌธ๋“ค๋„ ์†Œ๊ฐœ๋œ๋‹ค.
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๋งค์šฐ ์ •์„ฑ๋“ค์ธ ๋ฐœํ‘œ๋“ค์ด ์˜ฌ๋ผ์˜ค๋ฉฐ, ์ €์ž๊ฐ€ ์ง์ ‘ ์†Œ๊ฐœํ•ด์ฃผ๊ธฐ ๋•Œ๋ฌธ์— ๋” ์ž์„ธํ•œ ์ด์•ผ๊ธฐ๋ฅผ ๋“ค์„ ์ˆ˜ ์žˆ๋‹ค.

Hugging Face

Introduction to Graph Machine Learning
Weโ€™re on a journey to advance and democratize artificial intelligence through open source and open science.
https://huggingface.co/blog/intro-graphml
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Graph ML ๊ด€๋ จ๋œ ์ „๋ฐ˜์ ์ธ tutorial
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Molecule์— ํŠนํ™”๋œ tutorial์€ ์•„๋‹ˆ์ง€๋งŒ, ๊ฝค ํฐ ๋น„์ค‘์œผ๋กœ ๋‹ค๋ฃจ๊ณ  ์žˆ๋‹ค.

Deep Learning for Molecules & Materials

dmol.pub ๐Ÿ“–
Deep Learning for Molecules & Materials Book
https://dmol.pub/
โ€ข
์‹ ์•ฝ๊ฐœ๋ฐœ, ๋ถ„์ž์„ค๊ณ„์— ์ ํ•ฉํ•œ Deep Learning ๊ธฐ์ˆ ๋“ค์— ๋Œ€ํ•œ tutorial
โ€ข
PyTorch๊ฐ€ ์•„๋‹Œ Tensorflow ์œ„์ฃผ๋กœ ์†Œ๊ฐœ๋˜๊ณ  ์žˆ๋‹ค.