<commit_before>#!/bin/bash

# 
# Script to run toxd test case
#

# Change the below if the path to these external dependencies of AMPLE
# cannot be found in your standard PATH
export PATH=\
/opt/shelx:\
$PATH

$CCP4/bin/ample \
-rosetta_dir /opt/rosetta-3.5 \
-fasta toxd_.fasta \
-mtz 1dtx.mtz \
-frags_3mers aat000_03_05.200_v1_3 \
-frags_9mers aat000_09_05.200_v1_3 \
-nmodels 30 \
-percent 50 \
-quick_mode True \
-use_shelxe True \
-nproc 2 \

#-models_dir ./models \
#-ensembles_dir ./ROSETTA_MR_0/ensembles_1 \
<commit_msg>Test commit<commit_after>#!/bin/bash

# 
# Script to run toxd test case
#

# Change the below if the path to these external dependencies of AMPLE
# cannot be found in your standard PATH
export PATH=\
/opt/shelx:\
$PATH

$CCP4/bin/ample \
-rosetta_dir /opt/rosetta-3.5 \
-fasta toxd_.fasta \
-mtz 1dtx.mtz \
-frags_3mers aat000_03_05.200_v1_3 \
-frags_9mers aat000_09_05.200_v1_3 \
-nmodels 30 \
-percent 50 \
-quick_mode True \
-use_shelxe True \
-nproc 2 \

#-models_dir ./models \
#-ensembles_dir ./ROSETTA_MR_0/ensembles_1 \


{'fraction_non_alphanumeric': 0.11709159584513693, 'fraction_numerical': 0.06987724268177525, 'mean_word_length': 3.2231075697211153, 'pattern_counts': {'":': 0, '<': 3, '<?xml version=': 0, '>': 3, 'https://': 0, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
{'dir': 'git-commits-cleaned', 'id': '4123673', 'n_tokens_mistral': 507, 'n_tokens_neox': 459, 'n_words': 113}