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8e04e6f | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 | #!/usr/bin/env bash
set -euo pipefail
source ${ROCM_PATH}/cuda/env.sh
export LD_LIBRARY_PATH="$CONDA_PREFIX/lib/python3.11/site-packages/fastpt/torch/lib:$LD_LIBRARY_PATH"
export LD_LIBRARY_PATH=${ROCM_PATH}/opencl/lib:$LD_LIBRARY_PATH
SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
REPO_ROOT="$(cd "$SCRIPT_DIR/../../../.." && pwd)"
#source "$REPO_ROOT/env.sh"
export LAPROTEINA_ROOT="${LAPROTEINA_ROOT:-${ONESCIENCE_DATASETS_DIR}/la-proteina}"
export LAPROTEINA_DATASET_DIR="${LAPROTEINA_DATASET_DIR:-${LAPROTEINA_ROOT}/dataset}"
export LAPROTEINA_CHECKPOINTS_DIR="${LAPROTEINA_CHECKPOINTS_DIR:-${LAPROTEINA_ROOT}/checkpoints_laproteina}"
export DATA_PATH="${DATA_PATH:-$LAPROTEINA_DATASET_DIR}"
export PROTEINMPNN_DIR="${PROTEINMPNN_DIR:-$REPO_ROOT/examples/biosciences/ProteinMPNN}"
export PROTEINMPNN_WEIGHTS_DIR="${PROTEINMPNN_WEIGHTS_DIR:-${ONESCIENCE_MODELS_DIR}/ProteinMPNN/ca_model_weights}"
export ESMFOLD_MODEL_PATH="${ESMFOLD_MODEL_PATH:-${ONESCIENCE_MODELS_DIR}/facebook_esmfold_v1}"
export TRANSFORMERS_OFFLINE=1
export HF_HUB_OFFLINE=1
export PYTHONPATH="$REPO_ROOT/src${PYTHONPATH:+:$PYTHONPATH}"
if [[ -n "${CONDA_PREFIX:-}" ]]; then
export LD_LIBRARY_PATH="$CONDA_PREFIX/lib${LD_LIBRARY_PATH:+:$LD_LIBRARY_PATH}"
fi
HAS_CONFIG_NAME=0
for arg in "$@"; do
case "$arg" in
--config_name|--config_name=*)
HAS_CONFIG_NAME=1
;;
esac
done
if [[ "$HAS_CONFIG_NAME" -eq 0 ]]; then
set -- --config_name inference_ucond_tri "$@"
fi
#python "$REPO_ROOT/src/onescience/models/laproteina/evaluate.py" "$@"
python "$SCRIPT_DIR/evaluate_laproteina.py" "$@"
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