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273 changes: 145 additions & 128 deletions lambench/models/models_config.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -14,146 +14,163 @@
show_finetune_task: True
show_calculator_task: True

- model_name: orb_v3_conservative_inf_omat
model_type: ASE
model_family: ORB
virtualenv: &bohrium_image_v2_10 registry.dp.tech/dptech/dp/native/prod-375/lambench:v2.10
- model_name: dpa4_260609_beta
model_type: DP
model_family: DP
model_path: /bohr/testmodel-gevy/v16/test_dpa4_beta/model.ckpt-3400000.pt
virtualenv: registry.dp.tech/dptech/dp/native/prod-26832/test:dpa4v2
model_metadata:
pretty_name: Orb-v3-omat
date_added: 2025-04-22
model_description: https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-v3/orb-v3-conservative-inf-omat-20250404.ckpt
num_parameters: 25510582
pretty_name: DPA-4.0-Beta
date_added: 2026-06-09
model_description: DP 2026 Q2, 16 layers with dynamic nnei.
num_parameters: 3268689
packages:
orb-models: 0.5.2
deepmd-kit: P0414
use_separate_spin_charge: True
supports_omol: True
skip_tasks: [PropertyFinetuneTask]
show_calculator_task: True

- model_name: 7net-mf-ompa
model_type: ASE
model_family: SevenNet
virtualenv: &bohrium_image registry.dp.tech/dptech/dp/native/prod-375/lambench:v2.9
model_metadata:
pretty_name: SevenNet-MF-ompa
date_added: 2025-04-01
model_description: https://github.com/MDIL-SNU/SevenNet/blob/main/sevenn/pretrained_potentials/SevenNet_MF_ompa/checkpoint_sevennet_mf_ompa.pth
num_parameters: 26734966
packages:
sevenn: 0.11.0
show_calculator_task: True
# - model_name: orb_v3_conservative_inf_omat
# model_type: ASE
# model_family: ORB
# virtualenv: &bohrium_image_v2_10 registry.dp.tech/dptech/dp/native/prod-375/lambench:v2.10
# model_metadata:
# pretty_name: Orb-v3-omat
# date_added: 2025-04-22
# model_description: https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-v3/orb-v3-conservative-inf-omat-20250404.ckpt
# num_parameters: 25510582
# packages:
# orb-models: 0.5.2
# show_calculator_task: True

- model_name: UMA_m_1p1
model_type: ASE
model_family: UMA
model_path: /bohr/uma-ii97/v1/checkpoints/uma-m-1p1.pt
virtualenv: registry.dp.tech/dptech/dp/native/prod-375/lambench:v2.14
model_metadata:
pretty_name: UMA-M-1.1
date_added: 2025-07-22
num_parameters: 50000000
model_description: UMA-M-1.1
packages:
fairchem-core: 2.3.0
supports_omol: True
show_direct_task: False # Hide test results due to license restrictions.
# - model_name: 7net-mf-ompa
# model_type: ASE
# model_family: SevenNet
# virtualenv: &bohrium_image registry.dp.tech/dptech/dp/native/prod-375/lambench:v2.9
# model_metadata:
# pretty_name: SevenNet-MF-ompa
# date_added: 2025-04-01
# model_description: https://github.com/MDIL-SNU/SevenNet/blob/main/sevenn/pretrained_potentials/SevenNet_MF_ompa/checkpoint_sevennet_mf_ompa.pth
# num_parameters: 26734966
# packages:
# sevenn: 0.11.0
# show_calculator_task: True

- model_name: MatterSim_v1.0.0_5M
model_type: ASE
model_family: MatterSim
virtualenv: *bohrium_image
model_metadata:
pretty_name: MatterSim-v1-5M
date_added: 2025-04-01
model_description: mattersim_v1_5M
num_parameters: 4549142
packages:
mattersim: 1.1.2
show_calculator_task: True
# - model_name: UMA_m_1p1
# model_type: ASE
# model_family: UMA
# model_path: /bohr/uma-ii97/v1/checkpoints/uma-m-1p1.pt
# virtualenv: registry.dp.tech/dptech/dp/native/prod-375/lambench:v2.14
# model_metadata:
# pretty_name: UMA-M-1.1
# date_added: 2025-07-22
# num_parameters: 50000000
# model_description: UMA-M-1.1
# packages:
# fairchem-core: 2.3.0
# supports_omol: True
# show_direct_task: False # Hide test results due to license restrictions.

- model_name: GRACE_2L_OAM_28Jan25
model_type: ASE
model_family: GRACE
virtualenv: *bohrium_image
model_metadata:
pretty_name: GRACE-2L-OAM
date_added: 2025-04-01
model_description: A two-layer semi-local GRACE model, pre-fitted on the OMat24 and fine-tuned on sAlex+MPTraj datasets, with fixed 6 Å cutoff.
num_parameters: 12597516
packages:
tensorpotential: 0.4.5
show_calculator_task: True
# - model_name: MatterSim_v1.0.0_5M
# model_type: ASE
# model_family: MatterSim
# virtualenv: *bohrium_image
# model_metadata:
# pretty_name: MatterSim-v1-5M
# date_added: 2025-04-01
# model_description: mattersim_v1_5M
# num_parameters: 4549142
# packages:
# mattersim: 1.1.2
# show_calculator_task: True

- model_name: MACE-MH-1
model_type: ASE
model_family: MACE
model_path: /bohr/testmodel-gevy/v11/mace_models/mace-mh-1.model
virtualenv: registry.dp.tech/dptech/dp/native/prod-26832/test-lambench:mace
model_metadata:
pretty_name: MACE-MH-1
date_added: 2025-11-26
model_description: A multitask trained model, refer to https://huggingface.co/mace-foundations/mace-mh-1.
num_parameters: 6439878
packages:
mace-torch: mace-mh-1
show_calculator_task: True
supports_omol: True
# - model_name: GRACE_2L_OAM_28Jan25
# model_type: ASE
# model_family: GRACE
# virtualenv: *bohrium_image
# model_metadata:
# pretty_name: GRACE-2L-OAM
# date_added: 2025-04-01
# model_description: A two-layer semi-local GRACE model, pre-fitted on the OMat24 and fine-tuned on sAlex+MPTraj datasets, with fixed 6 Å cutoff.
# num_parameters: 12597516
# packages:
# tensorpotential: 0.4.5
# show_calculator_task: True

- model_name: dpa3_250929_v3_2_0_5M
model_type: DP
model_family: DP
model_path: /bohr/testmodel-gevy/v11/dpa3_3_2_0_5M/dp_dpa3_v3.2.0_0929_120w.pt
virtualenv: registry.dp.tech/dptech/dp/native/prod-26832/lambench:v2.17
model_metadata:
pretty_name: DPA-3.2-5M
date_added: 2025-11-20
model_description: DP 2025 Q4, 24 layers with dynamic nnei and frame-level parameters to support explicit charge/spin inputs.
num_parameters: 4816561
packages:
deepmd-kit: D0708
show_calculator_task: True
supports_omol: True
skip_tasks: [PropertyFinetuneTask]
# - model_name: MACE-MH-1
# model_type: ASE
# model_family: MACE
# model_path: /bohr/testmodel-gevy/v11/mace_models/mace-mh-1.model
# virtualenv: registry.dp.tech/dptech/dp/native/prod-26832/test-lambench:mace
# model_metadata:
# pretty_name: MACE-MH-1
# date_added: 2025-11-26
# model_description: A multitask trained model, refer to https://huggingface.co/mace-foundations/mace-mh-1.
# num_parameters: 6439878
# packages:
# mace-torch: mace-mh-1
# show_calculator_task: True
# supports_omol: True

- model_name: dpa2_241126_v2_4_0
model_type: DP
model_family: DP
model_path: /bohr/lambench-model-55c1/v3/dpa2_241126_v2_4_0/dp_dpa2_v2.4.0_1126_800w.pt
virtualenv: *bohrium_image
model_metadata:
pretty_name: DPA-2.4-7M
date_added: 2025-04-01
model_description: DP 2024 Q4, 37head share fitting 120GPU pretrain
num_parameters: 6637036
packages:
deepmd-kit: P0131
show_calculator_task: True
skip_tasks: [PropertyFinetuneTask]
# - model_name: dpa3_250929_v3_2_0_5M
# model_type: DP
# model_family: DP
# model_path: /bohr/testmodel-gevy/v11/dpa3_3_2_0_5M/dp_dpa3_v3.2.0_0929_120w.pt
# virtualenv: registry.dp.tech/dptech/dp/native/prod-26832/lambench:v2.17
# model_metadata:
# pretty_name: DPA-3.2-5M
# date_added: 2025-11-20
# model_description: DP 2025 Q4, 24 layers with dynamic nnei and frame-level parameters to support explicit charge/spin inputs.
# num_parameters: 4816561
# packages:
# deepmd-kit: D0708
# show_calculator_task: True
# supports_omol: True
# skip_tasks: [PropertyFinetuneTask]

- model_name: mace_medium-mpa-0
model_type: ASE
model_family: MACE
virtualenv: *bohrium_image
model_metadata:
pretty_name: MACE-MPA-0
date_added: 2025-04-01
model_description: https://github.com/ACEsuit/mace-mp/releases/download/mace_mpa_0/mace-mpa-0-medium.model
num_parameters: 9063204
packages:
macetorch: 0.3.12
show_calculator_task: True
skip_tasks: [PropertyFinetuneTask]
# - model_name: dpa2_241126_v2_4_0
# model_type: DP
# model_family: DP
# model_path: /bohr/lambench-model-55c1/v3/dpa2_241126_v2_4_0/dp_dpa2_v2.4.0_1126_800w.pt
# virtualenv: *bohrium_image
# model_metadata:
# pretty_name: DPA-2.4-7M
# date_added: 2025-04-01
# model_description: DP 2024 Q4, 37head share fitting 120GPU pretrain
# num_parameters: 6637036
# packages:
# deepmd-kit: P0131
# show_calculator_task: True
# skip_tasks: [PropertyFinetuneTask]

- model_name: orb_v2
model_type: ASE
model_family: ORB
virtualenv: *bohrium_image
model_metadata:
pretty_name: Orb-v2
date_added: 2025-04-01
model_description: https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-v2-20241011.ckpt
num_parameters: 25161727
packages:
orb-models: 0.4.2
show_calculator_task: True
skip_tasks: [PropertyFinetuneTask]
# - model_name: mace_medium-mpa-0
# model_type: ASE
# model_family: MACE
# virtualenv: *bohrium_image
# model_metadata:
# pretty_name: MACE-MPA-0
# date_added: 2025-04-01
# model_description: https://github.com/ACEsuit/mace-mp/releases/download/mace_mpa_0/mace-mpa-0-medium.model
# num_parameters: 9063204
# packages:
# macetorch: 0.3.12
# show_calculator_task: True
# skip_tasks: [PropertyFinetuneTask]

# - model_name: orb_v2
# model_type: ASE
# model_family: ORB
# virtualenv: *bohrium_image
# model_metadata:
# pretty_name: Orb-v2
# date_added: 2025-04-01
# model_description: https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-v2-20241011.ckpt
# num_parameters: 25161727
# packages:
# orb-models: 0.4.2
# show_calculator_task: True
# skip_tasks: [PropertyFinetuneTask]


# Deprecated Models
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