Hi all, this seems interesting:
---------- Forwarded message --------- From: Susi Lehtola susi.lehtola*_*alumni.helsinki.fi < owner-chemis...@ccl.net> Date: Wed, 22 Mar 2023 at 17:09 Subject: CCL: Call for Papers: Free and Open Source Software symposium at ACS Fall 2023 Meeting Sent to CCL by: Susi Lehtola [susi.lehtola] Hi, I would like to inform the list that we are organizing a symposium "Free and Open Source Software: Harnessing the Power of Data" in the COMP division at the 2023 Fall ACS meeting held in San Francisco, California, USA on August 13-17, 2023. The symposium is jointly organized by the Molecular Sciences Software Institute (molssi.org) and the ACS Open Source Software Convergent Research Community. Abstract submission is currently open, with the deadline of April 4, 2023. To find our symposium, please look under the Computers in Chemistry (COMP) division symposium list. We look forward to receiving abstracts related to both applications and development of free and open source software. Thank you, Ashley Ringer McDonald, Cal Poly San Luis Obispo Susi Lehtola, University of Helsinki T. Daniel Crawford, Virginia Tech PS. Personally, I am especially looking forward to hear talks on what sets free and open source software aside from alternatives, such as in enabling new innovations in industry and academia, but all kinds of abstracts related to the topic of the symposium will be considered. ---------- </ Forwarded message > --------- -- Predicting binding affinities can be predicted for each protein variant with a new QSAR model that takes into account the amino acid change: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-023-00701-3 -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: https://egonw.github.io/ Blog: https://chem-bla-ics.blogspot.com/ Mastodon: https://scholar.social/@egonw PubList: https://orcid.org/0000-0001-7542-0286
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