New.

script for truncating pickles written by @gilep 
use absl flags and run in parallel

alphapulldown/truncate_pickles.py

@@ -0,0 +1,84 @@
+#!/usr/bin/env python3
+
+"""
+Copies all contents from a source directory to a destination directory,
+excluding specific keys from .pkl files if those keys are present.
+
+Example usage: python truncate_pickles.py --src_dir=/path/to/source --dst_dir=/path/to/destination --number_of_threads=16
+--keys_to_exclude=aligned_confidence_probs,distogram,masked_msa"""
+
+import os
+import shutil
+import sys
+import pickle
+from concurrent.futures import ThreadPoolExecutor
+from absl import app, flags, logging
+
+# Define flags with default values and descriptions
+flags.DEFINE_string('src_dir', None, 'Path to the source directory from which to copy files.', required=True)
+flags.DEFINE_string('dst_dir', None, 'Path to the destination directory where files will be copied.', required=True)
+flags.DEFINE_string('keys_to_exclude', 'aligned_confidence_probs,distogram,masked_msa',
+                    'Comma-separated list of keys to exclude from .pkl files. Default keys are "aligned_confidence_probs,distogram,masked_msa".')
+flags.DEFINE_integer('number_of_threads', 1, 'Number of threads to use for execution. Default is 1 (serial execution).')
+
+from absl.flags import FLAGS
+
+def copy_file(src_file_path, dst_file_path, keys_to_exclude):
+    if src_file_path.endswith('.pkl'):
+        try:
+            with open(src_file_path, 'rb') as f:
+                data = pickle.load(f)
+
+            if isinstance(data, dict) and any(key in data for key in keys_to_exclude):
+                for key in keys_to_exclude:
+                    data.pop(key, None)
+
+                with open(dst_file_path, 'wb') as f:
+                    pickle.dump(data, f)
+                    logging.info(f'{src_file_path} Copied without keys {keys_to_exclude} to {dst_file_path}')
+            else:
+                shutil.copy2(src_file_path, dst_file_path)
+        except Exception as e:
+            logging.error(f"Error processing {src_file_path}: {e}")
+    else:
+        shutil.copy2(src_file_path, dst_file_path)
+
+def copy_contents(src_dir, dst_dir, keys_to_exclude, number_of_threads=1):
+    keys_to_exclude = keys_to_exclude.split(",")
+    tasks = []
+
+    with ThreadPoolExecutor(max_workers=number_of_threads) as executor:
+        for root, dirs, files in os.walk(src_dir):
+            rel_path = os.path.relpath(root, src_dir)
+            dst_path = os.path.join(dst_dir, rel_path)
+            os.makedirs(dst_path, exist_ok=True)
+
+            for file in files:
+                src_file_path = os.path.join(root, file)
+                dst_file_path = os.path.join(dst_path, file)
+
+                if os.path.exists(dst_file_path):
+                    continue
+
+                if number_of_threads > 1:
+                    task = executor.submit(copy_file, src_file_path, dst_file_path, keys_to_exclude)
+                    tasks.append(task)
+                else:
+                    copy_file(src_file_path, dst_file_path, keys_to_exclude)
+
+    # If running with multiple threads, wait for all tasks to complete
+    if number_of_threads > 1:
+        for task in tasks:
+            task.result()  # This will re-raise any exception that occurred in the task
+
+def main(argv):
+    del argv  # Unused by main, but required by app.run.
+    if not os.path.isdir(FLAGS.src_dir):
+        logging.error(f"Input directory '{FLAGS.src_dir}' does not exist.")
+        sys.exit(1)
+
+    os.makedirs(FLAGS.dst_dir, exist_ok=True)
+    copy_contents(FLAGS.src_dir, FLAGS.dst_dir, FLAGS.keys_to_exclude, FLAGS.number_of_threads)
+
+if __name__ == '__main__':
+    app.run(main)