diff --git a/src/schnetpack/datasets/qm9.py b/src/schnetpack/datasets/qm9.py index 89c75ac5..0c353712 100644 --- a/src/schnetpack/datasets/qm9.py +++ b/src/schnetpack/datasets/qm9.py @@ -30,8 +30,7 @@ class QM9(AtomsDataModule): References: - .. [#qm9_1] https://ndownloader.figshare.com/files/3195404 - + .. [#qm9_1] https://springernature.figshare.com/ndownloader/files/3195404 """ # properties @@ -179,7 +178,7 @@ def prepare_data(self): def _download_uncharacterized(self, tmpdir): logging.info("Downloading list of uncharacterized molecules...") - at_url = "https://ndownloader.figshare.com/files/3195404" + at_url = "https://springernature.figshare.com/ndownloader/files/3195404" tmp_path = os.path.join(tmpdir, "uncharacterized.txt") request.urlretrieve(at_url, tmp_path) logging.info("Done.") @@ -193,7 +192,7 @@ def _download_uncharacterized(self, tmpdir): def _download_atomrefs(self, tmpdir): logging.info("Downloading GDB-9 atom references...") - at_url = "https://ndownloader.figshare.com/files/3195395" + at_url = "https://springernature.figshare.com/ndownloader/files/3195395" tmp_path = os.path.join(tmpdir, "atomrefs.txt") request.urlretrieve(at_url, tmp_path) logging.info("Done.") @@ -214,9 +213,20 @@ def _download_data( logging.info("Downloading GDB-9 data...") tar_path = os.path.join(tmpdir, "gdb9.tar.gz") raw_path = os.path.join(tmpdir, "gdb9_xyz") - url = "https://ndownloader.figshare.com/files/3195389" + url = "https://springernature.figshare.com/ndownloader/files/3195389" + + req = request.Request( + url, + headers={ + "User-Agent": "Mozilla/5.0 (Macintosh; Intel Mac OS X 10_15_7) AppleWebKit/537.36" + }, + ) + + with request.urlopen(req, timeout=600) as response: + logging.info(f"Response status: {response.status}") + with open(tar_path, "wb") as out_file: + shutil.copyfileobj(response, out_file) - request.urlretrieve(url, tar_path) logging.info("Done.") logging.info("Extracting files...")