.gitignore

# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class

# C extensions
*.so

# Distribution / packaging
dist/
build/
*.egg-info/

# IDEs and editors
.idea/
.vscode/
*.sublime-project
*.sublime-workspace

# Local development settings
.env
venv/
env/

# MacOS stuff
.DS_Store

# Experiment artifacts and data
wandb/
data/small_molecule_datasets/raw/
data/small_molecule_datasets/processed/*.npz
data/small_molecule_datasets/processed/*.pkl
data/small_molecule_datasets/processed/*.pkl
data/small_molecule_datasets/processed/*.old.*
data/small_molecule_datasets/processed/zinc250k.csv
data/trained_models/zinc_250k
data/trained_models/vae_mario
data/trained_models/vae_mario-*
data/trained_models/gps
data/trained_models/ae_for_esm/latent_dim_128
data/benchmark_on_toy_objective/
data/benchmark_on_toy_objective_*/
data/benchmark_on_low_intrinsic_dimensionality/
data/benchmark_on_low_intrinsic_dimensionality*/
data/regressing_a_simple_function/
data/backups
data/esm_embeddings/esm_embeddings_pool.json
reports/figures/regressing_a_simple_function/ExactGPModel*
reports/figures/regressing_a_simple_function/ExactGPModelWithLogNormalPrior*
reports/figures/regressing_a_simple_function/ExactGPWithPolynomialKernel*
reports/figures/regressing_a_simple_function/ExactGPModel/
reports/figures/regressing_a_simple_function/ExactGPModelWithLogNormalPrior/
reports/figures/regressing_a_simple_function/ExactGPWithPolynomialKernel/
local.*.sh
*.png
error*.log
output*.log
reports/figures/

# Baxus output
conf_dict.json
*.txt.xz
model_history.zip
.tox

# TDC
oracle/

# Bounce
data/bounce_results/

# Results cache
data/results_cache/

# Running experiments locally
*.local.sh
*_local.py
*.local.py
*_local.ipynb
*_logs.log

# SLURM logs
slurm_logs/

# Install scripts
install_envs.sh

table_128.csv
table_2.csv