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integrating with lammps #262
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Hi @chemxyang, this is a good-to-have feature. But currently, we don't have enough man-power to work on it. It is welcome if someone would like to work on it! |
Hi Xin, We are preparing to release a LAMMPS interface for the NeuroChem binaries (https://github.com/isayev/ASE_ANI). Expect to see it in a month or two. |
We are preparing a paper that includes an interface between LAMMPS and TorchANI, developed by @yueyericardo, it will be available in the next month. |
Hi developers,
Do you have the plan to integrate the ANI-1 with lammps?
Best wishes,
Xin
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