From cbf126b4d4fec7a2b64db7dfb7937787a2f054f4 Mon Sep 17 00:00:00 2001 From: knc6 Date: Thu, 30 Jan 2025 05:27:56 -0500 Subject: [PATCH] Add multi prop --- alignn/ff/all_models_alignn_atomwise.json | 1 + alignn/pretrained.py | 4 +++- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/alignn/ff/all_models_alignn_atomwise.json b/alignn/ff/all_models_alignn_atomwise.json index a7157cf..7d42fb8 100644 --- a/alignn/ff/all_models_alignn_atomwise.json +++ b/alignn/ff/all_models_alignn_atomwise.json @@ -2,6 +2,7 @@ "v12.2.2024_dft_3d_307k": "https://figshare.com/ndownloader/files/50904240", "v12.2.2024_mp_1.5mill": "https://figshare.com/ndownloader/files/50904783", "v12.2.2024_mp_187k": "https://figshare.com/ndownloader/files/50904801", + "v2024.12.12_dft_3d_multi_prop": "https://figshare.com/ndownloader/files/52025186", "alex_band_gap": "https://figshare.com/ndownloader/files/51993641", "alex_dos_pa": "https://figshare.com/ndownloader/files/51993653", "alex_e_form": "https://figshare.com/ndownloader/files/51993647", diff --git a/alignn/pretrained.py b/alignn/pretrained.py index 9f701e2..885d13a 100644 --- a/alignn/pretrained.py +++ b/alignn/pretrained.py @@ -27,7 +27,9 @@ Name of the model, figshare link, number of outputs, extra config params (optional) """ -# For ALIGNN-FF pretrained models see, alignn/ff/ff.py +# See also, alignn/ff/ff.py +# Both alignn and alignn_atomwise +# models are shared all_models = { "jv_formation_energy_peratom_alignn": [ "https://figshare.com/ndownloader/files/31458679",