iiinova — where your digital self keeps evolving

Thomas Coudrat @tomsilico.bsky.social · 05/06/2025

Registrations and abstract submission for the 23rd Melbourne Proteins Group Student Symposium are still open! 16th July, Bio21 Institute, Melbourne. Register here! www.eventbrite.com.au/e/mpg-23rd-s...

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Frank Noe @franknoe.bsky.social · 06/12/2024

Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science. www.biorxiv.org/content/10.1...

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Alexander Rose @asrose.bsky.social · 17/11/2024

Gave a short presentation on Illuminating Molecules in #molstar at the November 2024 #WebGL & #WebGPU Meetup www.khronos.org/events/webgl...

About Mol*

Suite of tools for 3D molecular data on the web
Custom WebGL rendering engine
Scales from single atoms to cells with billions

Wanted nicer lighting that still scales
“Path-traced” SSGI
Screen-space, so OK with billions of atoms
Sample-based, so good to adjust quality

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Gabriele Corso @gcorso.bsky.social · 17/11/2024

Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!

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Greg Landrum @greglandrum.bsky.social · 22/10/2024

Save the date: I'm happy to announce that the 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September. The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague. Registration details will follow early next year.

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Joana Pereira @joanampereira.bsky.social · 16/11/2024

🚨The future Pereira lab is hiring! We will start at @vibai.bsky.social in Feb 2025 and are looking for a postdoc to join our team 🤓 If you want to leverage AI and large networks to explore and understand the protein universe 🌌, check below! *deadline: 21 Nov 2024* jobs.vib.be/j/93314/post...

jobs.vib.be

Postdoc in Protein Computational Biology / Structural Bioinformatics - VIB

Job description We are seeking a postdoc to join the Pereira Lab for an interdisciplinary project that integrates structural bioinformatics, protein evolution, complex network analysis, and deep learn...

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John Chodera @jchodera.bsky.social · 16/11/2024

Interested in the open source software ecosystem for drug discovery? Give the Open Molecular Software Foundation (@omsf.bsky.social) a follow!

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John Chodera @jchodera.bsky.social · 16/11/2024

The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement! openadmet.org/jobs/

openadmet.org

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Kevin K. Yang 楊凱筌 @kevinkaichuang.bsky.social · 12/11/2024

You have 10 more days to apply for an internship with me, Ava Amini, Alex Lu, Lorin Crawford, or Kristen Severson! Make sure you include a research statement with your application. jobs.careers.microsoft.com/global/en/jo...

jobs.careers.microsoft.com

Search Jobs | Microsoft Careers

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OMSF @omsf.io · 28/09/2023

We are now on Bluesky! OMSF supports the ever-growing ecosystem of open source molecular software. We love all things #opensource, #science, and #software - if you do too, follow us!

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Brian Naughton @btnaughton.bsky.social · 31/03/2024

A short blogpost on evaluating longevity drugs with LLMs blog.booleanbiotech.com/evaluating-l...

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Peter Kenny @pwk2024.bsky.social · 28/02/2024

#PostDoc opportunity for computational chemist at University of Dundee #DrugDiscovery Unit (UK) ref: UOD1366; length of contract not shown; closing 22-Mar-2024 #CADD #CompChem #cheminformatics #ChemPostDoc #PostDocJobs #CompChemJobs #UKChemJobs #chemsky www.jobs.ac.uk/job/DGD536/p...

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Kate Michie @kmichie.bsky.social · 28/02/2024

Attention! Job Opportunity in Sydney 🧶🧬! I assure you they are open-minded about this role… super keen for computational people… and we are really building a great place with fun people to work with. external-careers.jobs.unsw.edu.au/cw/en/job/52...

external-careers.jobs.unsw.edu.au

Lecturer/Senior Lecturer, Teaching & Research (Emerging areas of Pharmacology)

Are you working in an emerging area of pharmacology or therapeutics? Perhaps an area we haven’t heard of yet? The Department of Pharmacology is growing, and we are looking to recruit someone who is ex...

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Peter Kenny @pwk2024.bsky.social · 26/02/2024

IC50 values depend on on concentration & Km of substrate and here's a relevant article: Combining IC50 or Ki Values from Different Sources Is a Source of Significant Noise #chemsky #DrugDesign #DrugDiscovery #biochem #cheminformatics #ML #AI #OpenAccess doi.org/10.1021/acs....

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Peter Kenny @pwk2024.bsky.social · 26/02/2024

#PostDoc opportunity: #AI and physics based #DrugDiscovery at University of Leiden (Netherlands) 2 years funding; closing 11-Mar-2024 #ML #CompChem #cheminformatics #PostDocJobs #chemsky www.universiteitleiden.nl/vacatures/20...

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Gonzalo Parra @gonzaparra.bsky.social · 17/02/2024

We are back with our #StructuralBioinformatics webinars coordinated by Neeladri Sen and I in the context of 3DBioinfo @ELIXIREurope, 3DSig @iscb and @iscbsc! As always we will have 2 amazing speakers! March 12th at 17 hs CET/16 hs UK Register: tinyurl.com/2p97xuww

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Diego del Alamo @delalamo.xyz · 12/02/2024

The protein design & informatics group at GSK is hiring in switzerland - looking for experience w/ ML (LLMs, GNNs, etc) and/or classical computational structural biology techniques

linkedin.com

GSK hiring Investigator, Protein Design in Baar, Zug, Switzerland | LinkedIn

Posted 2:18:02 AM. Site Name: UK - Hertfordshire - Stevenage, Baar OnyxPosted Date: Feb 8 2024Investigator, Protein…See this and similar jobs on LinkedIn.

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Thomas Coudrat @tomsilico.bsky.social · 14/02/2024

This year I entered Lorne Proteins' T-shirt design competition (lorneproteins.org/t-shirt-desi...) and won it with a DALL-E 3 generated design of a cockatoo with protein secondary structures as feathers. Some asked if I could share it, here it is :)

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MDAnalysis @mdanalysis.bsky.social · 05/02/2024

Do you know some Python but want to learn about analyzing and visualizing molecular simulation data? Join us Feb 28 at 3:00 UTC for a free workshop on a basic workflow with MDAnalysis and Molecular Nodes! Spots are limited, so make sure to apply before Feb 19: www.mdanalysis.org/2024/02/05/m...

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Thomas Coudrat @tomsilico.bsky.social · 14/12/2023

#compchem job: Computational Scientist - Quantum Chemistry at Acellera (Barcelona, Spain) www.acellera.com/careers

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SBGrid Consortium @sbgrid.bsky.social · 28/11/2023

Greetings from the SBGrid team as we migrate & look for friends from the structural biology community. We curate & install structural biology applications (CryoEM, crystallography, NMR, tomography), host educational webinars/workshops, and support reproducibility and access to scientific resources.

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pen(Taka) @iwatobipen.bsky.social · 03/12/2023

Try to use new version of compound generator REINVENT4 #reinvent #RDKit #cheminfo iwatobipen.wordpress.com/2023/12/03/t...

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Thomas Coudrat @tomsilico.bsky.social · 18/11/2023

💻⚗️ (testing emojis to direct to feed)

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Geoff Hutchison @geoffhutchison.net · 28/10/2023

After a year of development, I'm pleased to announce the latest beta release of Avogadro2, including piles of bug fixes and many feature enhancements. two.avogadro.cc As always, comments, suggestions and ideas welcome: discuss.avogadro.cc

two.avogadro.cc

Install — Avogadro 1.98.0 documentation

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