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Adapt Crystal-GFN experiment config file to Evaluator #321

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merged 1 commit into from
Jun 10, 2024
Merged

Adapt Crystal-GFN experiment config file to Evaluator #321

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26 changes: 13 additions & 13 deletions config/experiments/crystals/starling_bg.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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}
26 changes: 13 additions & 13 deletions config/experiments/crystals/starling_bg_no_constraints.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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}
26 changes: 13 additions & 13 deletions config/experiments/crystals/starling_density.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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}
26 changes: 13 additions & 13 deletions config/experiments/crystals/starling_density_no_constraints.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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}
26 changes: 13 additions & 13 deletions config/experiments/crystals/starling_fe.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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}
26 changes: 13 additions & 13 deletions config/experiments/crystals/starling_fe_no_constraints.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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}
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