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Comp/Chem/Info on Mastodon

Follow all your favourite Cheminformaticians and Computational Chemists

You want to get in touch with Cheminformaticians and Computational Chemists from around the world on Mastodon? This page lists accounts from Cheminformaticians and Computational Chemists and relevant institutions and offers an easy method to follow multiple accounts at once. Just decide if you want to follow all or only some of the accounts listed below. You are provided with a .csv-file, which you can upload in Mastodon in order to follow all accounts included. Here you can find a short instruction, on how to do this.

Futher information on how to be added or removed can be found at the bottom of this page.

Accounts by handle, name, and keywords (most recent first)
(Daniel Probst) – Keywords: drug discovery, drug development, cheminformatics, ml, bioinformatics, graphs, signal processing
(Matteo Cavalleri) – Keywords: compchem-ist former EiC of the Int. Journal of Quantum Chemistry publisher at WILEY simulation geek
(Andrew Henry) – Keywords: Computational chemistry, drug design, biologics, modelling
(Bharath Ramsundar) – Keywords: lead Developer of DeepChem, Machine learning for drug discovery, small molecule design, differentiable physics
(Alfonso T. Garcia-Sosa) – Keywords: drug design, molecular modeling, medicinal chemistry, computational chemistry, molecular dynamics
(Marwin Segler) – Keywords: Machine Learning, Computational Chemistry, Organic Chemistry, Medicinal Chemistry, Reinforcement Learning
(Karel Berka) – Keywords: Computational Chemistry, Medicinal Chemistry, Molecular modeling, Drug design
(Egon Willighagen) – Keywords: cheminformatics, openscience, bioinformatics
(David Zhuang) – Keywords: artificial intelligence, drug discovery
(Peter Schmidtke) – Keywords: drug design, molecular modeling, medicinal chemistry, computational chemistry, molecular dynamics
(Alán Aspuru-Guzik) – Keywords: self-driving labs, ai-driven molecular and materials discovery, molecular representations, generative models, Bayesian optimization, quantum computing, sustainability
(Philipp Marquetand) – Keywords: machine learning, nonadiabatic dynamics, computational chemistry
(Janine George) – Keywords: Chemical heuristics, Bonding Analysis, High-throughput DFT, Automation
(Johannes Margraf) – Keywords: Machine Learning, Electronic Structure Theory
(François-Xavier Coudert) – Keywords: Materials discovery, high-throughput screening, machine learned potentials for materials
(Clyde Davies) – Keywords: Chemistry, Cheminformatics, Open Science, CML
(Aron Walsh) – Keywords: computational chemistry, materials informatics, machine learning
(Adriano Rutz) – Keywords: natural products, metabolomics, bioinformatics, open science
(Charles Tapley Hoyt) – Keywords: cheminformatics, bioinformatics, machine learning, drug discovery, software, reproducibility
(Clemens Isert) – Keywords: machine learning, drug discovery
(Rajarshi Guha) – Keywords: Chemistry, Cheminformatics, Bioinformatics, Machine Learning, Visualization
(Markus Sitzmann) – Keywords: cheminformatics, openscience, opendata, opensource
(Jan Jensen) – Keywords: Computational Chemistry, Theoretical Chemistry, Chemistry
(Konrad Hinsen) – Keywords: biomolecular structure and dynamics, elastic network models, reproducible research, Open Science
(Jakob Kottmann) – Keywords: electronic structure, quantum computing, multiresolution quantum chemistry
(John P. Overington) – Keywords: Drug Discovery, Exscientia, Cheminformatics, Drug Repositioning, Structural Bioinformatics
(Barbara Zdrazil) – Keywords: Drug Discovery, Cheminformatics, Bioinformatics, Chemical Biology
(Alexey Orlov) – Keywords: antivirals, chemoinformatics, molecular modeling, medicinal chemistry, bioinformatics
(Matteo Manica) – Keywords: machine learning, applied mathematics, open science, software
(Matthieu Schapira) – Keywords: CACHE challenges
(Lily Wang) – Keywords: science lead @ openforcefield, core developer @ mdanalysis, molecular dynamics
(Vicente Martí) – Keywords: Molecular cages, Supramolecular Chemistry, Molecular Modelling, Nanosystems
(Christopher Cramer) – Keywords: Chemistry, Catalysis, Theoretical Chemistry, Physical Chemistry
(Geoff Hutchison) – Keywords: chemistry, computational chemistry, physical chemistry, open science, cheminformatics, opensource
(Karnjit Parmar) – Keywords: cheminformatics, Organic synthesis, materials, total synthesis
(Chris Swain) – Keywords: Drug discovery, medicinal chemistry, computational drug design, cheminfomatics, high-throughput screeing analysis
(Girinath Pillai) – Keywords: drug discovery, machine learning
(Jonathan Bisson) – Keywords: Drug Discovery, Natural Products Chemistry, NMR/MS, Ontologies
(Marco Foscato) – Keywords: computational chemistry, In silico molecular exploration and design
(Lukas Friedrich) – Keywords: drug discovery, machine learning
(Patrick Walters) – Keywords: deep learning, life sciences, cheminformatics, chemistry, organic chemistry, machine learning, drug discovery
(Jannis Born) – Keywords: deep learning, cheminformatics, generative chemistry, language models
(Ernest Awoonor-Williams) – Keywords: Computational Biochemistry, Computer-Aided Drug Design, Drug Discovery
(Noel O'Boyle) – Keywords: Cheminformatics, Computer-Aided Drug Design
(Esben Jannik Bjerrum) – Keywords: Computational Drug Discovery, Cheminformatics, Machine Learning, Deep Learning, Data Science
(Giulio Mattedi) – Keywords: CADD, Molecular Dynamics, Cheminfomatics

Full names are only included if they are shown in the profile or on explicit demand. You want to be on the list, too? Send me your details at @skepteis@skepteis.social.

If you want to be removed from the list, you can contact me in any way.