no code implementations • 3 Oct 2023 • Vaibhav Bihani, Utkarsh Pratiush, Sajid Mannan, Tao Du, Zhimin Chen, Santiago Miret, Matthieu Micoulaut, Morten M Smedskjaer, Sayan Ranu, N M Anoop Krishnan
In addition to our thorough evaluation and analysis on eight existing datasets based on the benchmarking literature, we release two new benchmark datasets, propose four new metrics, and three challenging tasks.
Ranked #1 on Formation Energy on GeTe
no code implementations • 29 Jan 2023 • Vaibhav Bihani, Sahil Manchanda, Srikanth Sastry, Sayan Ranu, N. M. Anoop Krishnan
Optimization of atomic structures presents a challenging problem, due to their highly rough and non-convex energy landscape, with wide applications in the fields of drug design, materials discovery, and mechanics.