add GPUMD, nep-data ; closes #233

projects.yaml

@@ -823,6 +823,12 @@ projects:
   homepage: https://www.optimade.org/providers-dashboard/
   github_id: Materials-Consortia/providers-dashboard
   # license: # none found
+- name: nep-data
+  category: datasets
+  gitlab_id: brucefan1983/nep-data
+  labels: ["ml-iap", "md", "transport-phenomena"]
+  # license: # none found
+  description: "Data related to the NEP machine-learned potential of GPUMD."
   # ################################################################################
   # EDUCATIONAL with resource: true (list here alphabetically)
   # ################################################################################
@@ -2417,3 +2423,9 @@ projects:
   license: MIT
   # package managers: none
   description: "A Neural Network Potential with Rigorous Treatment of Long-Range Dispersion https://doi.org/10.1039/D2DD00150K"
+- name: GPUMD
+  github_id: brucefan1983/GPUMD
+  category: ml-iap
+  labels: ["md", "lang-cpp", "electrostatics"]
+  license: GPL-3.0
+  description: "GPUMD is a highly efficient general-purpose molecular dynamic (MD) package and enables machine-learned potentials called neuroevolution potentials (NEPs)"