Joshua Horton @joshhorton93
Lancaster, England Joined March 2013-
Tweets290
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Following227
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MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
🦠 We’re excited to announce our first competition in partnership with @asap_discovery and @openmsf! Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro: 🧩 Ligand Poses: Given a training set of SARS-CoV-2 Mpro X-ray structures, predict…
Save the Date: bit.ly/FEWorkshop25 We are happy to announce the dates for the Free Energy Workshop 2025! Please fill out the above form to register your interest and you will receive all updates concerning registration and abstract submission! #Alchemistry2025
@Jeff_Reinebold HEY COACH, @Jeff_Reinebold WHAT A GAME AT THE TOTTY, HOW DO THINK THE VIKINGS WILL DO NOW, 5-0 SUPERBOWL?! 🤙🏼
Very excited to have taken part in the CACHE2 hit finding challenge. Thank you so much to the organisers and well done to all the participants! We've written up some of our experiences in this blog: cole-group.github.io/2024/09/10/cac… @ChemistryNCL @SciencesNCL
Very excited to have taken part in the CACHE2 hit finding challenge. Thank you so much to the organisers and well done to all the participants! We've written up some of our experiences in this blog: cole-group.github.io/2024/09/10/cac… @ChemistryNCL @SciencesNCL
Many congratulations to @joshhorton93 for 3rd place in the @UniofNewcastle 2024 Open Research Awards for his work with @openforcefield using open science to design better force fields! And congrats to all the presenters - it's great to see so much open research!
📢Passionate about molecular modelling, software engineering and improving force fields? We are recruiting for a 2-year (senior) research associate position in computational chemistry funded by a UKRI Fellowship. Deadline 23rd June. More details below 🧵 jobs.ncl.ac.uk/job/Newcastle-…
Interested in doing alchemistry directly with machine learning potentials? Check out this very exciting work by @jhmchem developing a soft-core MACE potential for organic molecules #compchem arxiv.org/abs/2405.18171
Interested in doing alchemistry directly with machine learning potentials? Check out this very exciting work by @jhmchem developing a soft-core MACE potential for organic molecules #compchem arxiv.org/abs/2405.18171
🗓️The deadline is just two weeks away for contributed talk abstracts for the joint @ccpbiosim & @MgmsUpdates Annual Conference: Molecular Modelling in Structure-Based Drug Design! 1-3 July 2024, Newcastle, UK Register today at: ccpbiosim.ac.uk/newcastle2024
Very cool to see how @openforcefield tools, and #BespokeFit by @joshhorton93 @ChemistryNCL are being used in the drug discovery process! Try it out yourself here: github.com/openforcefield…
Very cool to see how @openforcefield tools, and #BespokeFit by @joshhorton93 @ChemistryNCL are being used in the drug discovery process! Try it out yourself here: github.com/openforcefield…
A quick reminder that there's a great opportunity to work with @ColeGroupNCL and @openforcefield on everything #forcefield and the only standing between you and that position is a tiny bit of paperwork! #mariecurie
A quick reminder that there's a great opportunity to work with @ColeGroupNCL and @openforcefield on everything #forcefield and the only standing between you and that position is a tiny bit of paperwork! #mariecurie
If you're at #alchemy24 check out posters by @joshhorton93 on new force field functional forms with @openforcefield & free energy workflows with @asap_discovery !
An exciting new studentship opportunity is now available with @ColeGroupNCL. Advert closes 21st May, so make sure to get your application in soon! 👇👇👇👇👇👇👇👇👇👇👇👇👇👇 ncl.ac.uk/postgraduate/f…
📢We have an exciting open PhD position available for Sept start with @MosmedC CDT and sponsored by Genesis Therapeutics, working on computational physics-based molecular modelling for drug discovery! Apply today (deadline 21st May): ncl.ac.uk/postgraduate/f…
Passionate about force fields? Got great ideas for the future of force field design? We are looking to support applicants to the @MSCActions Postdoctoral Fellowships scheme in collaboration with @openforcefield! Check eligibility criteria below and get in touch if interested⬇️
Passionate about force fields? Got great ideas for the future of force field design? We are looking to support applicants to the @MSCActions Postdoctoral Fellowships scheme in collaboration with @openforcefield! Check eligibility criteria below and get in touch if interested⬇️
We're excited to announce SPICE 2.0, a new foundation QM dataset for building ML potentials for biomolecular simulation! 🚀 💊 13K new PubChem molecules 🌊 water clusters and solvated molecules 🤝 amino acid-ligand pairs ⚛️ more elements (B, Si) github.com/openmm/spice-d…
We have published the prelim. speaker lineup and program over at the event page, we're incredibly excited for this lineup (including a keynote from Max Welling @wellingmax)! bit.ly/alchemy-2024
Josh has been working with @jchodera & the @asap_discovery team on free energy pipelines for compound prioritisation, including bespoke force fields built with @openforcefield BespokeFit and fragment elaboration with our FEgrow software #compchem
Josh has been working with @jchodera & the @asap_discovery team on free energy pipelines for compound prioritisation, including bespoke force fields built with @openforcefield BespokeFit and fragment elaboration with our FEgrow software #compchem
We're delighted to be collaborating with @asap_discovery to accelerate open science antiviral drug discovery, through a developmental project award to @MikeJWaring & a mentored project award to @joshhorton93 & @ColeGroupNCL! Read about the research here: asapdiscovery.org/awards/project…
Niklas Rindtorff @Niklas_TR
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Pallav Sengupta @PallavSengupta3
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Jonna Jasmin Güven @jjguven
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295 Followers 2K Following Hi, I'm a Cur!ous Quanta and a surviving grad student. I usually remain on the ground state but sometimes found wandering on the excited PES. Comp. Chem.
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64 Followers 172 Following PhD student in the @rinikerlab @ETH Zürich (CH) Computational Physical Chemistry, mountain fanatic and guide for the swiss alpine club (SAC) youth
Manas Sharma, PhD �... @ManasSharma07
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Essex Group @chem_essexgroup
218 Followers 148 Following Official Twitter account for the Essex group in the School of Chemistry at the University of Southampton. (Student Managed)
@semihakbali.bsky.soc... @semihakbali
384 Followers 1K Following
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510 Followers 4K Following stuff with products, stuff with data, , stuff with DLT, stuff with FX
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0 Followers 58 Following Health & wellness website healing, healthy + happy🫶 Bronxville NY » i do self care for a living » arbonne - top 6% connect with me📥
Kiana Rostamipour @RostamipourK
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Mike Henry 🌈🏳�... @mikehenry42
510 Followers 1K Following FOSS fanatic. PhD. Advancing social justice through open science and inclusive training. He/Him/His @choderalab & @openfreeenergy @BoiseStateCOEN alumnus
TCPUniLu @TCPUniLu
960 Followers 696 Following Theoretical Chemical Physics Group of Prof. Alexandre Tkatchenko at the University of Luxembourg @uni_lu
Irfan Alibay @HighSpeedMode
445 Followers 327 Following RSE @ OMSF (biomol MD, free energy calcs, etc...), @MDAnalysis and @openfreeenergy core developer | he/him - views are my own
Open Force Field Init... @openforcefield
4K Followers 34 Following An open source, open science, and open data approach to better biomolecular force fields.
Zisheng Zhang 張孜�... @zisheng_zhang_
689 Followers 1K Following ZZ the Chemical Space Explorer | Stanford Energy Fellow @SUNCAT_Center | PhD‘24 @UCLAChem | BSc‘19 @SUSTechSZ | he/him
datamol.io @datamol_io
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Harry Moore @jhmchem
178 Followers 866 Following PhD student @Cambridge_Eng, molecular simulation ∩ machine learning | Previously @AstraZeneca and @impchemistry
Mary Pitman, PhD @me_pitman
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Hayley Russell @honestlyruss
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LiteFold @try_litefold
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NVIDIA Healthcare @NVIDIAHealth
12K Followers 146 Following The official handle for #NVIDIAHealthcare. Helping the scientific and developer community advance research, diagnostics, and patient care with #AI.
Gabriele Corso @GabriCorso
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Isomorphic Labs @IsomorphicLabs
29K Followers 75 Following We are reimagining the entire drug discovery process from first principles with an AI-first approach. Learn more: https://t.co/eC7rjmB3EZ
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Rowan @RowanSci
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73K Followers 283 Following I make games. @SpaceStationSV (N64), @warthegame (steam), @LearniaApp, @GuideApp__, Coming soon: @PlentifulGame Also: gta3, Vice, SA & IV 🕊️ for 🇵🇸
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rcsb pdb 💉🧬💻... @buildmodels
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nature @Nature
2.6M Followers 3K Following Research, News, and Commentary from Nature, the international science journal For daily science news, get Nature Briefing: https://t.co/wGmQlQ8a4D
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marcvanderkamp@bluesk... @marcvanderkamp
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