Adapt Crystal-GFN experiment config file to Evaluator

alexhernandezgarcia · Jun 10, 2024 · 47c54bf · 47c54bf
1 parent 4a5af72
commit 47c54bf
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Showing 6 changed files with 78 additions and 78 deletions.
diff --git a/config/experiments/crystals/starling_bg.yaml b/config/experiments/crystals/starling_bg.yaml
@@ -108,6 +108,18 @@ proxy:
     center: 1.34 # https://mila-umontreal.slack.com/archives/C04SC06HCTH/p1706213674295289
     distance: squared
 
+# Evaluator
+evaluator:
+  first_it: False
+  period: -1
+  checkpoints_period: 500
+  n_trajs_logprobs: 100
+  logprobs_batch_size: 10
+  n: 10
+  n_top_k: 5000
+  top_k: 100
+  top_k_period: -1
+
 # WandB
 logger:
   lightweight: True
@@ -118,22 +130,10 @@ logger:
     - stack
     - matbench
     - formationenergy
-  checkpoints:
-    period: 500
   do:
     online: true
-  test:
-    first_it: False
-    n_trajs_logprobs: 100
-    logprobs_batch_size: 10
-    period: -1
-    n: 10
-    n_top_k: 5000
-    top_k: 100
-    top_k_period: -1
 
 # Hydra
 hydra:
   run:
-    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S}
-
+    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S_%f}
diff --git a/config/experiments/crystals/starling_bg_no_constraints.yaml b/config/experiments/crystals/starling_bg_no_constraints.yaml
@@ -109,6 +109,18 @@ proxy:
     center: 1.34 # https://mila-umontreal.slack.com/archives/C04SC06HCTH/p1706213674295289
     distance: squared
 
+# Evaluator
+evaluator:
+  first_it: False
+  period: -1
+  checkpoints_period: 500
+  n_trajs_logprobs: 100
+  logprobs_batch_size: 10
+  n: 10
+  n_top_k: 5000
+  top_k: 100
+  top_k_period: -1
+
 # WandB
 logger:
   lightweight: True
@@ -119,22 +131,10 @@ logger:
     - stack
     - matbench
     - formationenergy
-  checkpoints:
-    period: 500
   do:
     online: true
-  test:
-    first_it: False
-    n_trajs_logprobs: 100
-    logprobs_batch_size: 10
-    period: -1
-    n: 10
-    n_top_k: 5000
-    top_k: 100
-    top_k_period: -1
 
 # Hydra
 hydra:
   run:
-    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S}
-
+    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S_%f}
diff --git a/config/experiments/crystals/starling_density.yaml b/config/experiments/crystals/starling_density.yaml
@@ -98,6 +98,18 @@ proxy:
   reward_min: 1e-08
   do_clip_rewards: True
 
+# Evaluator
+evaluator:
+  first_it: False
+  period: -1
+  checkpoints_period: 500
+  n_trajs_logprobs: 100
+  logprobs_batch_size: 10
+  n: 10
+  n_top_k: 5000
+  top_k: 100
+  top_k_period: -1
+
 # WandB
 logger:
   lightweight: True
@@ -108,22 +120,10 @@ logger:
     - stack
     - matbench
     - density
-  checkpoints:
-    period: 500
   do:
     online: true
-  test:
-    first_it: False
-    n_trajs_logprobs: 100
-    logprobs_batch_size: 10
-    period: -1
-    n: 10
-    n_top_k: 5000
-    top_k: 100
-    top_k_period: -1
 
 # Hydra
 hydra:
   run:
-    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S}
-
+    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S_%f}
diff --git a/config/experiments/crystals/starling_density_no_constraints.yaml b/config/experiments/crystals/starling_density_no_constraints.yaml
@@ -98,6 +98,18 @@ proxy:
   reward_min: 1e-08
   do_clip_rewards: True
 
+# Evaluator
+evaluator:
+  first_it: False
+  period: -1
+  checkpoints_period: 500
+  n_trajs_logprobs: 100
+  logprobs_batch_size: 10
+  n: 10
+  n_top_k: 5000
+  top_k: 100
+  top_k_period: -1
+
 # WandB
 logger:
   lightweight: True
@@ -108,22 +120,10 @@ logger:
     - stack
     - matbench
     - density
-  checkpoints:
-    period: 500
   do:
     online: true
-  test:
-    first_it: False
-    n_trajs_logprobs: 100
-    logprobs_batch_size: 10
-    period: -1
-    n: 10
-    n_top_k: 5000
-    top_k: 100
-    top_k_period: -1
 
 # Hydra
 hydra:
   run:
-    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S}
-
+    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S_%f}
diff --git a/config/experiments/crystals/starling_fe.yaml b/config/experiments/crystals/starling_fe.yaml
@@ -105,6 +105,18 @@ proxy:
     beta: -8.0
     alpha: 1.0
 
+# Evaluator
+evaluator:
+  first_it: False
+  period: -1
+  checkpoints_period: 500
+  n_trajs_logprobs: 100
+  logprobs_batch_size: 10
+  n: 10
+  n_top_k: 5000
+  top_k: 100
+  top_k_period: -1
+
 # WandB
 logger:
   lightweight: True
@@ -115,22 +127,10 @@ logger:
     - stack
     - matbench
     - formationenergy
-  checkpoints:
-    period: 500
   do:
     online: true
-  test:
-    first_it: False
-    n_trajs_logprobs: 100
-    logprobs_batch_size: 10
-    period: -1
-    n: 10
-    n_top_k: 5000
-    top_k: 100
-    top_k_period: -1
 
 # Hydra
 hydra:
   run:
-    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S}
-
+    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S_%f}
diff --git a/config/experiments/crystals/starling_fe_no_constraints.yaml b/config/experiments/crystals/starling_fe_no_constraints.yaml
@@ -105,6 +105,18 @@ proxy:
     beta: -8.0
     alpha: 1.0
 
+# Evaluator
+evaluator:
+  first_it: False
+  period: -1
+  checkpoints_period: 500
+  n_trajs_logprobs: 100
+  logprobs_batch_size: 10
+  n: 10
+  n_top_k: 5000
+  top_k: 100
+  top_k_period: -1
+
 # WandB
 logger:
   lightweight: True
@@ -115,22 +127,10 @@ logger:
     - stack
     - matbench
     - formationenergy
-  checkpoints:
-    period: 500
   do:
     online: true
-  test:
-    first_it: False
-    n_trajs_logprobs: 100
-    logprobs_batch_size: 10
-    period: -1
-    n: 10
-    n_top_k: 5000
-    top_k: 100
-    top_k_period: -1
 
 # Hydra
 hydra:
   run:
-    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S}
-
+    dir: ${user.logdir.root}/crystalgfn/${oc.env:SLURM_JOB_ID,local}/${now:%Y-%m-%d_%H-%M-%S_%f}