Akshat Nigam
@akshatai.bsky.social
PhD student @Stanford CS. drug discovery; protein modeling & machine learning. BioX Fellow. Founder @Stealth.
Pinned
Akshat Nigam
@akshatai.bsky.social
· Dec 15
🎉 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:
Some Highlights:
Reposted by Akshat Nigam
💥 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
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
May 1, 2025 at 11:36 PM
💥 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
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
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 🤔
Structure co-folding models with ligands? Super cool! But unless they prove themselves in screening performance, conventional docking still wins 🤔
April 27, 2025 at 4:01 PM
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 🤔
Structure co-folding models with ligands? Super cool! But unless they prove themselves in screening performance, conventional docking still wins 🤔
Reposted by Akshat Nigam
🚀 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!
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!
April 23, 2025 at 1:23 AM
🚀 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!
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!
Reposted by Akshat Nigam
Reposted by Akshat Nigam
🚀 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?
→ [email protected]
#Biotech #DrugDiscovery #AI #JLabs
(Yes, the view’s amazing) 🤩
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?
→ [email protected]
#Biotech #DrugDiscovery #AI #JLabs
(Yes, the view’s amazing) 🤩
February 25, 2025 at 7:15 PM
🚀 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?
→ [email protected]
#Biotech #DrugDiscovery #AI #JLabs
(Yes, the view’s amazing) 🤩
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?
→ [email protected]
#Biotech #DrugDiscovery #AI #JLabs
(Yes, the view’s amazing) 🤩
Reposted by Akshat Nigam
Registration for the 2025 Accelerate conference in Toronto (Aug 11–14) opens soon! Be the first to know: zr2z766pxls.typeform.com/accelerate25
February 12, 2025 at 4:00 PM
Registration for the 2025 Accelerate conference in Toronto (Aug 11–14) opens soon! Be the first to know: zr2z766pxls.typeform.com/accelerate25
Reposted by Akshat Nigam
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 […]
Original post on mstdn.science
mstdn.science
February 11, 2025 at 6:25 PM
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 […]
Absolutely love working with @aspuru.bsky.social 😁
Happy to appear in #BNNBloomberg TV talking about our recent research paper in @naturebiotech.bsky.social about #ai and #quantum for KRAS binder discovery.
With @akshatai.bsky.social @elonverse.bsky.social Igor Staglar @cgorgulla.bsky.social @ghazivakili.bsky.social and others #chemsky
With @akshatai.bsky.social @elonverse.bsky.social Igor Staglar @cgorgulla.bsky.social @ghazivakili.bsky.social and others #chemsky
Thanks to #BNNBloomberg for having AC director @aspuru.bsky.social on to chat about his latest research w/Insilico Medicine + #UofT researchers that uses AI + quantum computing to speed up the discovery of anti-cancer drugs. Watch now 📺 www.bnnbloomberg.ca/video/shows/...
February 7, 2025 at 7:10 PM
Absolutely love working with @aspuru.bsky.social 😁
Reposted by Akshat Nigam
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
@akshatai.bsky.social ! [Paper: rdcu.be/d68Fs]
Exciting times ahead for Klyne—stay tuned for more! 🚀🔬
t.co/tkLsgjcSDb
https://www.bnnbloomberg.ca/video/shows/the-close/2025/02/05/how-researchers-are-using-quantum-computing-to-target-an-undruggable-cancer-protein/
t.co
February 6, 2025 at 8:13 PM
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
@akshatai.bsky.social ! [Paper: rdcu.be/d68Fs]
Exciting times ahead for Klyne—stay tuned for more! 🚀🔬
t.co/tkLsgjcSDb
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:
Some fascinating insights along the way:
January 22, 2025 at 8:17 PM
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:
Some fascinating insights along the way:
Reposted by Akshat Nigam
Thrilled to welcome @akshatai.bsky.social to Klyne! 🚀
Stay tuned for exciting science updates. Have biotech questions or needs? We're here to help: [email protected]
Stay tuned for exciting science updates. Have biotech questions or needs? We're here to help: [email protected]
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: [email protected] 😉
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: [email protected] 😉
January 1, 2025 at 6:45 AM
Thrilled to welcome @akshatai.bsky.social to Klyne! 🚀
Stay tuned for exciting science updates. Have biotech questions or needs? We're here to help: [email protected]
Stay tuned for exciting science updates. Have biotech questions or needs? We're here to help: [email protected]
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: [email protected] 😉
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: [email protected] 😉
January 1, 2025 at 6:34 AM
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: [email protected] 😉
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: [email protected] 😉
Reposted by Akshat Nigam
#RobSelects paper of the week #chemicalscience: Variational autoencoder for property-directed inverse design of organic copolymers. #aichem https://doi.org/10.1039/D4SC05900J
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
pubs.rsc.org
December 31, 2024 at 10:32 AM
#RobSelects paper of the week #chemicalscience: Variational autoencoder for property-directed inverse design of organic copolymers. #aichem https://doi.org/10.1039/D4SC05900J
Reposted by Akshat Nigam
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?
👇
But what if we could simulate water with lower viscosity while preserving the same thermodynamic properties?
👇
December 16, 2024 at 3:12 AM
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?
👇
But what if we could simulate water with lower viscosity while preserving the same thermodynamic properties?
👇
🎉 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:
Some Highlights:
December 15, 2024 at 5:03 AM
🎉 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:
Some Highlights:
Thanks @anshulkundaje.bsky.social! Really appreciate all the support in my PhD from both my advisors 🙂
Congrats to DR. @akshatai.bsky.social for defending his PhD thesis with flying colors! 🎉🎉🎉🎉🎉
Akshat was co-advised by me and Mike Bassik. He has done brilliant work on developing ML models of protein (repressor) function and small molecules. Check it out
scholar.google.com/citations?hl... 1/
Akshat was co-advised by me and Mike Bassik. He has done brilliant work on developing ML models of protein (repressor) function and small molecules. Check it out
scholar.google.com/citations?hl... 1/
AkshatKumar Nigam
PhD Student, Stanford University - Cited by 2,342 - Generative Models - Graphs Theory - Computer-aided Drug Design - Structural Bioinformatics
scholar.google.com
December 13, 2024 at 3:45 AM
Thanks @anshulkundaje.bsky.social! Really appreciate all the support in my PhD from both my advisors 🙂
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! 😉
November 27, 2024 at 10:45 PM
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! 😉