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Akshat Nigam

@akshatai.bsky.social
102 followers 138 following 16 posts

PhD student @Stanford CS. drug discovery; protein modeling & machine learning. BioX Fellow. Founder @Stealth.

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Reposted by Akshat Nigam
Klyne @klyneai.bsky.social · 02/05/2025
💥 Drug discovery software is broken Customers pay big fees for tools that may not work 👉🏽 We started KlyneAI to build tailored tools for your challenges—not generic ones No sugar-coating. If it doesn’t work, we stop—you don’t waste money.Time for an honest, problem-driven approach to drug discovery
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Akshat Nigam @akshatai.bsky.social · 27/04/2025
Hot take in drug discovery: The real value of molecular docking lies in ranking for (ultra-large) virtual screening. Structure co-folding models with ligands? Super cool! But unless they prove themselves in screening performance, conventional docking still wins 🤔
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Reposted by Akshat Nigam
Klyne @klyneai.bsky.social · 23/04/2025
🚀 Big news from Klyne! We’re thrilled to be collaborating with @cgorgulla.bsky.social ky.social's lab to develop the next generation of tools for accelerating drug discovery. Stay tuned—some exciting papers are on the way from this collaboration!
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Reposted by Akshat Nigam
Alán Aspuru-Guzik @aspuru.bsky.social · 07/03/2025
More of this. Please. www.theguardian.com/global-devel...
theguardian.com
‘Living proof that you can spend money on the poor’: Utopia comes to Mexico City
A visionary mayor has harnessed her imagination to promote health, wellbeing and culture in one of the Mexican capital’s most impoverished neighbourhoods
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Reposted by Akshat Nigam
Klyne @klyneai.bsky.social · 25/02/2025
🚀 Exciting News! 🚀 KlyneAI is thrilled to join JLABS! We’re pushing the boundaries of biotech innovation and developing cutting-edge tools for drug discovery. Want to collaborate on AI-driven drug discovery? → klyne@klyne.ai #Biotech #DrugDiscovery #AI #JLabs (Yes, the view’s amazing) 🤩
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Reposted by Akshat Nigam
Acceleration Consortium @accelerationc.bsky.social · 12/02/2025
Registration for the 2025 Accelerate conference in Toronto (Aug 11–14) opens soon! Be the first to know: zr2z766pxls.typeform.com/accelerate25
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Reposted by Akshat Nigam
Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 11/02/2025
In our recent publication, we describe a systematic framework leveraging the documentation of the quantum chemistry suite ORCA for developing large language models that are capable of providing input files based on user prompts with the help of prompt engineering, retrieval-augmented generation […]
mstdn.science
Original post on mstdn.science
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Akshat Nigam @akshatai.bsky.social · 07/02/2025
Absolutely love working with @aspuru.bsky.social 😁
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Reposted by Akshat Nigam
Klyne @klyneai.bsky.social · 06/02/2025
Check out this great interview with the incredible @aspuru.bsky.social on BNNBloomberg, highlighting a recent publication co-authored by our CTO, @akshatai.bsky.social ! [Paper: rdcu.be/d68Fs] Exciting times ahead for Klyne—stay tuned for more! 🚀🔬 t.co/tkLsgjcSDb
t.co
https://www.bnnbloomberg.ca/video/shows/the-close/2025/02/05/how-researchers-are-using-quantum-computing-to-target-an-undruggable-cancer-protein/
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Akshat Nigam @akshatai.bsky.social · 22/01/2025
Excited to share our latest work, published this morning in Nature Biotechnology! 🎉 We developed a hybrid quantum computing-enhanced generative model to design KRAS inhibitors. Check it out here: rdcu.be/d68Fs. Some fascinating insights along the way:
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Klyne @klyneai.bsky.social · 01/01/2025
Thrilled to welcome @akshatai.bsky.social to Klyne! 🚀 Stay tuned for exciting science updates. Have biotech questions or needs? We're here to help: klyne@klyne.ai
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Akshat Nigam @akshatai.bsky.social · 01/01/2025
Excited to share some news this New Year! I’ll be joining @klyneai.bsky.social as CTO soon. We co-founded Klyne to revolutionize biotech with cost-effective, no-licensing-fee software solutions. 🚀 If you're interested in screening, hit optimization, or FEP calculations, reach out: klyne@klyne.ai 😉
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Reposted by Akshat Nigam
Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 31/12/2024
#RobSelects paper of the week #ChemicalScience: Variational autoencoder for property-directed inverse design of organic copolymers. #aichem doi.org/10.1039/D4SC05900J
pubs.rsc.org
Inverse design of copolymers including stoichiometry and chain architecture
The demand for innovative synthetic polymers with improved properties is high, but their structural complexity and vast design space hinder rapid discovery. Machine learning-guided molecular design is a promising approach to accelerate polymer discovery. However, the scarcity of labeled polymer data and the
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Reposted by Akshat Nigam
Martin Vögele @martinvoegele.bsky.social · 16/12/2024
In biomolecular simulations, interesting phenomena often unfold slowly, with the viscosity of the surrounding water further hindering conformational sampling. But what if we could simulate water with lower viscosity while preserving the same thermodynamic properties? 👇
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Akshat Nigam @akshatai.bsky.social · 15/12/2024
🎉 Thrilled to share that I’ve successfully defended my PhD @Stanford! My thesis, "Machine Learning Approaches for Predicting Biological Function and Molecular Design," explores the intersection of ML, biology, and chemistry. Some Highlights:
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Akshat Nigam @akshatai.bsky.social · 13/12/2024
Thanks @anshulkundaje.bsky.social! Really appreciate all the support in my PhD from both my advisors 🙂
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Akshat Nigam @akshatai.bsky.social · 27/11/2024
Surprised by how much of the scientific community has moved here—seeing so much more scientific content and a big boost in post quality here! Looking forward to posting more here! 😉
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