updated gitignore

README.md

@@ -24,7 +24,7 @@ All model implementations, training code, evaluation code, and checkpoints are l
 The scripts are configured to be launched from the repository root directory. For example, to eval a matris model, run
 
 ```bash
-./models/matris/scripts/run_matris.sh
+./models/matris/scripts/eval_matris.sh
 ```
 
 

models/upet/README.md

@@ -1,31 +0,0 @@
-Install the requirements:
-
-` pip install upet `
-
-To evaluate the models, run
-
-for UPET cons. 2.9M
-```
-python eval_upet_pt.py \
-  --xyz ../../datasets/xyz/testdata.xyz \
-  --pt-path runs/seed42_upet_perstr_300ep_bs8_1e-4_lf5.pt \
-  --forces-key forces \
-  --progress
-```
-
-for UPET non-cons. 3.0M
-```
-python eval_upet_noncon_mtt.py \
-  --xyz ../../datasets/xyz/testdata.xyz \
-  --pt-path runs/seed42_upet_noncon_300ep_bs8_1e-4_lf5.pt \
-  --forces-key forces 
-```
-
-for PET pretrained mad-s 25.9M
-```
-python eval_upet_pt.py \
-  --xyz ../../datasets/xyz/testdata.xyz \
-  --pt-path runs/seed42_pet-mad-s_perstr_100ep_bs8_1e-4_lf5.pt \
-  --forces-key forces \
-  --progress
-```