Наш инстут(и я в том числе) организует супер крутой воркшоп по мл в химии и мультискейлом модеелинге. Заинвайчены крутые ребята как спикеры, в том числе Олес Исаев(который торч ани и аимнет и еще крутые штуки) и Паскаль Фридрих(которые графы под тензорфлоу) Подать абстрак можно еще до конца месяца https://simplaix-workshop2023.h-its.org
Ups: сорян, дедлайн на абстракты закрыт, но если очень хочется - то напишет в личку, мб что то придумаем.
Ups: сорян, дедлайн на абстракты закрыт, но если очень хочется - то напишет в личку, мб что то придумаем.
Notebook for analysis of the publication data - in case you need to list all your coauthors for the last 48 months, or to analyze publication activity. Or just curious.
https://colab.research.google.com/drive/1_qRPq5uMB2WxFgBnvVVgocQXzhivY6mu?usp=sharing
https://colab.research.google.com/drive/1_qRPq5uMB2WxFgBnvVVgocQXzhivY6mu?usp=sharing
Google
Google_Scholar_COA.ipynb
Colaboratory notebook
Aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
https://youtu.be/5lj99Uz1d50
https://youtu.be/5lj99Uz1d50
YouTube
3 Body Problem | Official Teaser | Netflix
From the creators of Game of Thrones comes a stunning new blockbuster series unlike anything you’ve seen before. This is your first look at 3 Body Problem.
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About Netflix:
Netflix is one of the world's leading entertainment…
SUBSCRIBE: http://bit.ly/29qBUt7
About Netflix:
Netflix is one of the world's leading entertainment…
Forwarded from Chemoinformatics papers (Timur Madzhidov)
Absolutely astonishing, very comprehensive and thorough review of applications of AI for treatment of atomistic modeling: for quantum chemistry, molecular dynamics, protein modelling, conformation generation, material science and partial differential equation solution (not clear for me why here). About 250 pages written by 70+ authors including Bronshtein, Coley, Barzilay, Aspuru-Guzik, etc
#materialinformatics #materialdesign #deeplearning #NN #moleculardynamics #freeenergy #folding #NNforMD #AF #NNforQC
https://arxiv.org/pdf/2307.08423.pdf
#materialinformatics #materialdesign #deeplearning #NN #moleculardynamics #freeenergy #folding #NNforMD #AF #NNforQC
https://arxiv.org/pdf/2307.08423.pdf
моя перва статья как ✨теоретика✨ https://pubs.acs.org/doi/10.1021/acs.jctc.3c00355
ACS Publications
Unlocking the Potential: Predicting Redox Behavior of Organic Molecules, from Linear Fits to Neural Networks
Redox-active organic molecules, i.e., molecules that can relatively easily accept and/or donate electrons, are ubiquitous in biology, chemical synthesis, and electronic and spintronic devices, such as solar cells and rechargeable batteries, etc. Choosing…
Forwarded from нс (egor)
Whoop Whoop C&EN made a Slack for fellow PhDs in Chem
https://cen.acs.org/sections/buffering-slack.html?partnerref=CENInstagram
https://cen.acs.org/sections/buffering-slack.html?partnerref=CENInstagram
Chemical & Engineering News
C&EN’s Buffering
A Slack community for chemistry grad students to sound off on PhD life.