Jan C. Brammer JanCBrammer
JanCBrammer
/ molfile_permutation.ipynb
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May 20, 2024 18:56
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| """Download gzipped SDF files from ftp.ncbi.nlm.nih.gov/pubchem/. | |
| https://openbook.rheinwerk-verlag.de/python/34_003.html | |
| https://docs.python.org/3/library/ftplib.html | |
| https://pubchem.ncbi.nlm.nih.gov/docs/downloads#section=From-the-PubChem-FTP-Site | |
| """ | |
| from ftplib import FTP | |
| from ftplib import all_errors as FTPException | |
| import hashlib |
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| // https://containers.dev/implementors/json_reference/ | |
| // https://hub.docker.com/_/microsoft-vscode-devcontainers | |
| { | |
| "name": "", | |
| "image": "mcr.microsoft.com/devcontainers/python:3.12", | |
| "customizations": { | |
| "vscode": { | |
| "extensions": [ | |
| "ms-python.python", | |
| "ms-python.vscode-pylance", |