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
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
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
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
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
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
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
Linux3.13-LinuxMint17-64 64 bits, x86_64   Use SuSE12.1-64 package  
Linux/RedHat
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
Linux4.18-RockyLinux8.6-64 64 bits, x86_64   Use RedHatES6.0-64 package  
Linux/SuSE
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
Retired