CACTVS Chemoinformatics Toolkit Academic Downloads
This page offers downloads of free academic versions of the Cactvs Chemoinformatics Toolkit. The packages found here are for evaluation and use in research and education only. They are not to be used in any commercial environment, or for any data processing performed for monetary gain. No redistribution of the software in any format, but feel of course free to link to this page.
Commercial toolkit versions with enhanced functionality and data protection are available for licensing.
Not all releases are updated with the same frequency. In case you are in urgent need of an up-to-date release of a specific OS, please let me know.
Academic Web structure sketcher packages can be downloaded here. If your platform does not directly match, use the toolkit compatibility chart below to pick a suitable package. Academic beta releases of other toolkit components not found in the standard package can be found here.
Last update: 2022-6-12
Warning: Academic toolkit versions will by default silently and automatically attempt to contact various Internet services for specific property data retrievals if certain configurations of present vs. required structure or reaction data are encountered. This includes pubchem.ncbi.nlm.nih.gov (PubChem CID, name, and other data lookup), cactus.nci.nih.gov (OSRA chemical OCR server, structure lookup service) and rcsb.org (PDB code access). This feature may expose your structure data to third parties and should be avoided for confidential information. Set the ::cactvs(structure_security) control variable in scripts, or use the config options in graphical tools to disable this functionality. In commercial versions of the toolkit, this feature is by default disabled. In any case, this flag only controls the sending of connectivity data - if the transmitted data is a PubChem CID, a CAS number, or similar data from a public source, Internet data retrievals may still be implicitly used.
| Item | Processor | md5sum | Version | Description | Date |
|---|---|---|---|---|---|
Documentation |
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| Documentation (PDF or HTML) | all | 3.4.8.23 | Tcl and Python Scripting language reference manual and other documentation | 2021-10-6 | |
| Jupyter Notebooks | all | 4bf4c0ab50e9316766f8fb4efe457341 | 3.4.8.23 | Jupyter notebooks highlighting toolkit features | 2022-10-6 |
Windows |
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| WIN32 | 32 bits, I586 and 64 bits, x86_64 | 3.426 | Cactvs toolkit, academic distribution without commercial value-added applications, structure security disabled by default. This version is tested to work on Windows 7, 8 and 10. This software needs the VC10 runtime, which is not always installed. If you get messages about missing DLLs, install this package. | 2014-7-15 | |
| Linux for Windows with SuSE Leap 42 | 32 bits, I586 and 64 bits, x86_64 | 3.4.8.18 | Verified to work for non-graphical tools. The default store package lacks libfontconfig in its default configuration, but it can be easily added via yast2. | 2021-3-24 | |
OSX |
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| MacOXS-Darwin13.4-64 (El Capitan and later) | 64 bits, x86_64 | 9195fe7a250778ab2020ddcd7b57e3eb | 3.4.8.23 | Cactvs toolkit, academic distribution without commercial value-added applications, structure security disabled by default. See special README file for the peculiarities of this port. Does also work on some older 64bit-OSX-versions, but not fully tested. | 2022-10-6 |
Linux/Alma |
Linux5.14-Alma9.0-64 | 64 bits, x86_64 | Use RedHatES6.0-64 package | ||
Linux/CentOS |
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| Linux2.6-CentOS6.4-64 | 64 bits, x86_64 | Use RedHatES6.0-64 package | |||
| Linux3.10-CentOS7.0-64 | 64 bits, x86_64 | Use RedHatES6.0-64 package | |||
| Linux4.18-CentOS8.0-6 | 64 bits, x86_64 | Use RedHatES6.0-64 package | |||
Linux/Debian |
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| Linux4.9-Debian8.0-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux4.9-Debian9.0-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
Linux/Fedora
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| Linux2.6-Fedora14-64 | 64 bits, x86_64 | Use RedHat ES6.0-64 package | |||
| Linux3.1-Fedora16-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux3.3-Fedora17-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux3.3-Fedora18-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux4.0-Fedora22-64 | 64 bits, x86_64 | Use SuSE12.1-64 package, run "yum install libpng12" and "yum install libXScrnSaver" | |||
Linux/LinuxMint |
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| Linux3.13-LinuxMint17-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
Linux/RedHat |
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| Linux2.6-RedHatES6.0-64 | 64 bits, x86_64 | 2ad58f9c530d13aa33ff6e69d8202d01 | 3.4.8.23 | Cactvs toolkit, academic distribution without commercial value-added applications, structure security disabled by default. | 2022-10-6 |
| Linux3.10-RedHatES7.0-64 | 64 bits, x86_64 | Use RedHatES6.0-64 package | |||
Linux/RockyLinux |
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| Linux4.18-RockyLinux8.6-64 | 64 bits, x86_64 | Use RedHatES6.0-64 package | |||
Linux/SuSE |
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| Linux3.1-SuSE12.1-64 | 64 bits, x86_64 | 47d49777f9ae9c4158e38d6b62f97801 | 3.4.8.23 | Cactvs toolkit, academic distribution without commercial value-added applications, structure security disabled by default. | 2022-10-6 |
| Linux3.7-SuSE12.3-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux3.11-SuSE13.1-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux3.16-SuSE13.2-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux4.1-SuSELeap42.[123]-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux4.1-SuSETumbleweed-64 | 64 bits, x86_64 | Use SuSE12.1-64 package | |||
| Linux5.3-SuSELeap15.3-64 | 64 bits, x86_64 | 415953f06408282a5d736c907ca46591 | 3.4.8.23 | Cactvs toolkit, academic distribution without commercial value-added applications, structure security disabled by default. | 2022-10-6 | Linux/Ubuntu |
| Linux4.4-Ubuntu16.04-64 | 64 bits, x86_64 | Use SuSE12.1-64 package. In case graphical applications fail with a message about a missing libxss library, run 'apt-get install libxss1' | |||
Solaris/IRIX/BSD/32-bit Linux |
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| Retired | |||||