Psivant Therapeutics

High-resolution protein structures, particularly those with bound ligands, are fundamental to advancing structure-based drug design. DeepMind’s #AlphaFold has demonstrated the transformative potential of computational methods in structural biology. However, with the latest iterations of AlphaFold not being available for commercial purposes and the code remaining inaccessible to the public, the scientific community faces a significant gap. It is imperative that we explore and develop alternative computational tools to ensure continued progress in this critical field. Psivant Therapeutics is happy to support #OpenFold, a non-profit consortium with a mission of democratizing AI for structural biology and drug discovery. The tools being developed by OpenFold can be used by academics, #biotech, and #pharmaceutical companies to accelerate basic research and ultimately bringing new cures to patients. Why did we choose to support OpenFold? *Open Source* An open-source project that can be used and improved by academics and companies alike. *Permissive License* A permissively licensed model that allows commercial and non-commercial use. *Training Pipeline* Provides the tools used to train the model under the same license. *Optimized for Performance* Optimized performance for use on state-of-the-art and widely available #GPUs. *PyTorch-Based* A supercomputer scale, distributed training, #pytorch-based training framework. *Weights Available* Utilize the existing pre-trained weights to get quickly get started fine-tuning your model. *Community* Stellar researchers from academia and industry, working together to solve high-impact problems at the interface of computers and biology. Read the press release: https://lnkd.in/eNyM9NSJ Learn more on the OpenFold website: https://openfold.io/ If you want to participate in the OpenFold consortium, please contact Mallory Tollefson, Ph. D.

We are excited to announce the publication of our STORMM manuscript in a special edition of Journal of Chemical Physics on "Modular and Interoperable Software for Chemical Physics": https://lnkd.in/eutM__3v STORMM (Structure and TOpology Replica Molecular Mechanics) is engineered from the ground up to harness the full power of modern #GPUs, handling many independent simulations simultaneously, ensuring efficient use of the ever-growing GPU compute bandwidth. We thank NVIDIA for feedback and running some benchmarking. We also thank the journal editors for inviting us to participate in this highly relevant special issue. A huge acknowledgement to David Cerutti for writing roughly a quarter million lines of general-purpose, performant library code from scratch (and more to come)! Please contact Dave or myself if you have questions or want to get involved in the STORMM project. STORMM is an open-source project under the hashtag #MIT license. STORMM publication: https://lnkd.in/eutM__3v #GitHub Repo: https://lnkd.in/ecacHxSE

Great to be representing Psivant Therapeutics at the Longwood MIT Conference, co-hosted by Massachusetts Institute of Technology professors Phil Sharp and Bob Langer. Check out the amazing lineup of speakers: https://lnkd.in/e4rUGEH8 I will be in the panel on "Ecosystem of External Innovation". This great event is hosted by the Longwood Fund and the Longwood Healthcare Leaders.

Come join our fearless team of Psivanteers and build our Biology capabilities and programs. Please comment/share for maximal reach.

We are hiring a Molecular Simulation and Modeling Scientist to join our growing team of drug hunters. The ideal candidate will be skilled in using computational methods to advance drug discovery projects, analyze molecular dynamics simulation results, derive actionable hypotheses from simulations, and effectively communicate findings to the team. You will collaborate closely with medicinal chemists, biophysicists, biologists, and the computational team to provide actionable insights and strategic guidance. Learn more about Psivant Therapeutics here: www.psivant.com Learn more about the position and apply here: https://lnkd.in/e5FqEyYs #drugdiscovery #computationalchemistry #moleculardynamics #molecularsimulations #ai #chemistry

We're thrilled to announce our first publication on the STORMM project, a next-generation molecular dynamics simulation code. STORMM is engineered from the ground up to harness the full power of modern #GPUs, handling multiple independent simulations simultaneously – a leap forward from traditional MD methods that process one system per #GPU kernel launch. This innovation is crucial as GPUs evolve, ensuring efficient use of the ever-growing compute bandwidth. We thank NVIDIA for their support and invite the scientific community to engage with STORMM, an open-source project under the #MIT license. Your feedback will be pivotal in our development journey. Check it out and contribute to shaping STORMM's future! A huge acknowledgement to David Cerutti for writing more than 225,000 lines of general-purpose library code from scratch (and more to come)! Please contact Dave or myself if you have questions or want to get involved in the STORMM project. STORMM manuscript on #bioRxiv: https://lnkd.in/efzWDagV #GitHub Repo: https://lnkd.in/ecacHxSE Stay tuned for further development and applications...