fengshikun/FradNMImain BranchesTags Code Folders and files Latest commit History98 Commits .vscode examples scripts torchmdnet .gitignore LICENSE Readme.md convert_smiles_pos.py rdkit_generate_pcqm.py results.csv smiles.lst smiles_coord.lst torsion_utils.py Repository files ...
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奉身无实事,困我为虚名 【困】〔古文〕《唐韻》《集韻》《韻會》《正韻》苦悶切,坤去聲。《說文》故廬也。从木,在囗中。《徐鍇曰》舊所居廬,故其木久而困獘也。《六書本義》木在囗中,木不得申也,借爲窮困,病困之義。又卦名。《易·困卦》象曰:澤無水困,君子以致命遂志。又《序卦》升而不已則...
在Keil C上用C语言实现的8位及16位CRC校验的程序,另附相关的参考资料。 51单片机 C语言 8位及16位CRC2015-08-23 上传大小:516KB 所需:49积分/C币 51单片机用C语言取出奇偶校验位 51单片机用C语言取出奇偶校验位的简单方法 上传者:memecaoyu时间:2011-07-16 ...
Generate a 3D conformation for a given RDKit molecule using the RDKit library. Args: mol (rdkit.Chem.Mol): The input RDKit molecule object. Returns: rdkit.Chem.Mol: The RDKit molecule object with the generated 3D conformation. Raises: Exception: Captures and prints any exception that occur...