Aditya Sonpal

[Aditya Sonpal @sonpal_aditya]

New Release!! ChemML 1.0 is now available via github (https://t.co/hw1Smant5C) and pypi (https://t.co/8NPp6c1osO) with an all new transfer learning module & updates to a highly intuitive GUI!
@johachmann @gvishwak_karma @mojtabalari @AatishPradhan11
#Chemistry #MachineLearning

[Aditya Sonpal @sonpal_aditya]

Way to go @AnkitaAg7!! 1st article out on the @Microsoft ExP platform! 👏
https://t.co/TQqik9DzYi

[Petar Veličković @PetarV_93]

The recording of my talk on Theoretical Foundations of Graph Neural Networks is now live (+slides in desc.)! 🕸️

Join me as I derive GNNs from first principles, motivate their use in the sciences, and explain how they emerged along several research lines.

https://t.co/bzigwAJGNr

[Hachmann Group @ U Buffalo @johachmann]

Merry Christmas and Happy Holidays from the Hachmann group!

[Aditya Sonpal @sonpal_aditya]

@Venoosam Congratulations Venoos!!

[Hachmann Group @ U Buffalo @johachmann]

Merry Christmas and Happy Holidays from the Hachmann group!
https://t.co/DgABQ5atMw

[Hachmann Group @ U Buffalo @johachmann]

Last Friday's Durga Puja celebration with @sonpal_aditya and Yudhajit.

[Aditya Sonpal @sonpal_aditya]

A wonderful farewell to @mojtabalari !! Keep pushing the boundaries and inspiring us like you always have!! Looking forward to seeing what you do next at #ucberkeley!! Good luck!! Cheers🍻

[ABC News @ABC]

"It was beyond my wildest imagination that I would one day become 'The Notorious RBG.'"

Justice Ruth Bader Ginsburg accepts an honorary degree from the University of Buffalo, days after the announcement she'd been treated for pancreatic cancer. https://t.co/kSbFTHFBrQ

[MolSSI @MolSSI_NSF]

MolSSI Software Fellow Mojtaba Haghighatlari’s recent publication “presents a multitask, physics-infused deep learning model to predict refractive indices (RIs) of organic molecules; we apply it to a library of 1.5 million compounds.” Read more below.

https://t.co/mdvp63Zt6k

[Design Nominees @designnominees]

#App Of The Day 06 Aug 2019
Snap Search
by Rajat Vaghani @rajat_vaghani
https://t.co/1bBoTHkxLQ

[Aditya Sonpal @sonpal_aditya]

Yes, that's a wrap! Thank you @jesacat for organizing this wonderful learning experience for us! Can't wait to use everything that I have learnt here!!

[Jessica Nash @jessica_a_nash]

We just wrapped up the 2019 @MolSSI_NSF software summer school @TACC. It’s been a productive and challenging 10 days! Thanks to all my co-instructors (@ChemPhys55 @edeustuas @dga_smith @mojtabalari @rimoldie ), and, of course, the amazing students! Hope to see many of you again!

[Aditya Sonpal @sonpal_aditya]

@mojtabalari giving a tutorial on Machine Learning in Chemical Sciences at the @MolSSI_NSF Software Summer School this morning! #compchem #machinelearning

[Daniel G A Smith @dga_smith]

Excited to be @TACC for the @MolSSI_NSF Summer School teaching software best practices, hybrid Python/C++ programming, and parallelization techniques led by @jesacat!

Didn’t make it? Check out the content online!

https://t.co/jDHrzwSm97
https://t.co/b0ubRVnuPf

#compchem

[Aditya Sonpal @sonpal_aditya]

The beginning of day 5 at the MolSSI Software Summer School and a throwback to the bad old days 😂 #cpp #helloworldagain

[Aditya Sonpal @sonpal_aditya]

One of the stylish #supercomputers down at @TACC. Had an up close look at it during the first day of the MolSSI Software Summer School. @MolSSI_NSF

[MolSSI @MolSSI_NSF]

Read about ChemMLl, “an open machine learning and informatics program suite that is designed to support and advance the data-driven research paradigm that is currently emerging in the chemical and materials domain.” @ChemRXIV

https://t.co/9bEai5mPHV

[J. Am. Chem. Soc. @J_A_C_S]

Happy Birthday to chemist and JACS author Angela Merkel! We haven't received any submissions from you in some time now but we understand you've been busy with other things. https://t.co/NbqiCdfoJZ

[Hachmann Group @ U Buffalo @johachmann]

A Deep Neural Network Model for Packing Density Predictions and its Application in the Study of 1.5 Million Organic Molecules - now published in Chemical Science https://t.co/Hkcg0enoeW

[Citrine Informatics @Citrine_io]

#WisdomWednesday recommended literature: "ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data" https://t.co/kcTvOC5Bqe @ChemRxiv #chemicals #materials #MaterialsInformatics #MachineLearning