Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.

Interested in all things ML+Bio especially protein design PhD in Pharmacology

futurist : Who am I? What am I? As I AM, I AM NOT! As We Are: I AM. Seriously, inspired by the likes of Socrates,

curious explorer - https://asarigun.github.io/

Generally lost in alchemical space - Science Lead at Open Free Energy, Emeritus MDAnalysis core developer. You can find me on github at @IAlibay and sometimes

Prof @ U. Toronto - PI @ SGC - CACHE challenges - Computational chemistry- Structural bioinformatics - Biophysics

Professor, University of Colorado Boulder, molecular modeling and computational infrastructure

Biologist | UNSAM-CONICET | Bioinformatics | Cheminformatics | Genomics | Drug discovery | Diagnostics | Neglected Tropical Diseases | Argentina 🇦🇷

the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.

Achira | http://achira.ai Research laboratory | http://choderalab.org Antiviral drug discovery for pandemics | http://asapdiscovery.org OpenADMET | http://op

We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and bio