Merge pull request #101 from deepmodeling/dpa3m

add DPA3 7M model

Author: anyangml

lambench/models/models_config.yml

@@ -9,6 +9,17 @@
   show_finetune_task: True
   show_calculator_task: True
 
+- model_name: dpa3_250211_v3_0_0_7M
+  model_type: DP
+  model_family: DP
+  model_path: /bohr/lambench-model-55c1/v4/dpa3_250211_v3_0_0_7M/dp_dpa3_v3.0.0_0211_280w.pt
+  virtualenv: registry.dp.tech/dptech/dp/native/prod-26832/lambench:v2.2
+  model_metadata:
+    model_description: "DP 2025 Q1, 7M parameters"
+  show_finetune_task: False
+  show_calculator_task: False
+  skip_tasks: [PropertyFinetuneTask, CalculatorTask]
+
 - model_name: mace_mp_0_medium
   model_type: ASE
   model_family: MACE

pyproject.toml

@@ -31,7 +31,7 @@ classifiers = [
 ]
 
 [project.optional-dependencies]
-deepmd = ["deepmd-kit @ git+https://github.com/iProzd/deepmd-kit.git@0103_prob_scp_e1a#egg=deepmd-kit", "torch>=2.1"]
+deepmd = ["deepmd-kit @ git+https://github.com/iProzd/deepmd-kit.git@devel_dpa3_descriptor#egg=deepmd-kit", "torch>=2.1"]
 fairchem = ["fairchem-core", "torch_geometric", "pyg_lib", "torch_scatter", "torch_sparse", "torch_cluster", "torch_spline_conv"] # See README
 mace = ["mace-torch"]
 mattersim = ["mattersim @ git+https://github.com/microsoft/mattersim.git@f1028e5eee8cc19edfc1d44f3c468c1206192daa"]