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Open Catalyst Project Demo and Challenge (Neurip ... (No replies)
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The Open Catalyst Project (OCP, https://opencatalystproject.org/) is a collaboration between Meta AI Research and CMU's Department of Chemical Engineering.
Today we released an online demo of how the latest generalizable machine learning potentials can be used to accelerate catalyst workflows for tasks like adsorption energy prediction or binding site identification. All of the models / code / datasets are open source and permissively licensed so we hope these tools are useful for your own work. We hope this can be helpful for computational chemists, experimental researchers, and ML researchers alike!
Demo website: https://open-catalyst.metademolab.com/
In addition, we are running a challenge at NeurIPS 2023 (deadline October) for even better methods like ML potentials, global optimization techniques, etc to solve these problems.
More details here! https://opencatalystproject.org/challenge.html
Feel free to reach out if you have any questions!