| Release | Uploaded | |
|---|---|---|
| Chemistry-File-InChI-0.1021 Jan 2026 12:11:17 UTC | InChI identifier reader | 21 Jan 2026 12:11:17 UTC |
| Chemistry-File-CML-0.1402 Mar 2023 14:47:33 UTC | Chemical Markup Language reader/writer | 02 Mar 2023 14:47:33 UTC |
| Chemistry-Ring-0.2116 Dec 2022 08:35:04 UTC | Represent a ring as a substructure of a molecule | 16 Dec 2022 08:35:04 UTC |
| Chemistry-File-OPTIMADE-0.1121 Oct 2022 10:42:34 UTC | OPTIMADE reader | 21 Oct 2022 10:42:34 UTC |
| Chemistry-File-MDLMol-0.2403 Feb 2022 16:09:12 UTC | MDL molfile reader/writer | 03 Feb 2022 16:09:12 UTC |
| Chemistry-Harmonia-0.11818 May 2013 20:01:04 UTC | Decision of simple and difficult chemical puzzles. | 18 May 2013 20:01:04 UTC |
| Chemistry-File-SMILES-0.4708 Jul 2010 03:16:39 UTC | SMILES linear notation parser/writer | 08 Jul 2010 03:16:39 UTC |
| Chemistry-File-PDB-0.2310 May 2009 21:58:55 UTC | Protein Data Bank file format reader/writer | 10 May 2009 21:58:55 UTC |
| Chemistry-Pattern-0.2710 May 2009 21:00:10 UTC | Chemical substructure pattern matching | 10 May 2009 21:00:10 UTC |
| Chemistry-Canonicalize-0.1110 May 2009 20:17:04 UTC | Number the atoms in a molecule in a unique way | 10 May 2009 20:17:04 UTC |
| Chemistry-Bond-Find-0.2310 May 2009 20:05:27 UTC | Detect bonds in a molecule from atomic 3D coordinates and assign formal bond orders | 10 May 2009 20:05:27 UTC |
| Chemistry-File-InternalCoords-0.0307 Apr 2007 23:59:47 UTC | Internal coordinates (z-matrix) molecule format reader/writer | 07 Apr 2007 23:59:47 UTC |
| Chemistry-File-QChemOut-0.1004 Oct 2006 16:20:37 UTC | Q-Chem ouput molecule format reader | 04 Oct 2006 16:20:37 UTC |
| Chemistry-MidasPattern-0.1116 May 2005 23:06:55 UTC | Select atoms in macromolecules | 16 May 2005 23:06:55 UTC |
| Chemistry-File-SMARTS-0.2216 May 2005 22:22:44 UTC | SMARTS chemical substructure pattern linear notation parser | 16 May 2005 22:22:44 UTC |
| Chemistry-Mok-0.2516 May 2005 21:55:57 UTC | an awk for molecules | 16 May 2005 21:55:57 UTC |
| Chemistry-File-VRML-0.1016 May 2005 21:17:49 UTC | Generate VRML models for molecules | 16 May 2005 21:17:49 UTC |
| Chemistry-3DBuilder-0.1006 May 2005 22:37:42 UTC | Generate 3D coordinates from a connection table | 06 May 2005 22:37:42 UTC |
| Chemistry-File-SLN-0.1129 Mar 2005 16:42:04 UTC | SLN linear notation parser/writer | 29 Mar 2005 16:42:04 UTC |
| Chemistry-Reaction-0.0226 Sep 2004 19:20:27 UTC | Explicit chemical reactions | 26 Sep 2004 19:20:27 UTC |
| Chemistry-InternalCoords-0.1824 Sep 2004 20:51:39 UTC | Represent the position of an atom using internal coordinates and convert it to Cartesian coordinates. | 24 Sep 2004 20:51:39 UTC |
| Chemistry-FormulaPattern-0.1011 Aug 2004 23:09:39 UTC | Match molecule by formula | 11 Aug 2004 23:09:39 UTC |
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