A toolkit for chemical informatics and machine learning
The package is split into subpackages, so you can install only the part of the toolkit you need. Most notably, if you want to work with the python bindings please use:
# dnf install python-rdkit
while if you want to work with the postgresql cartridge, use:
# dnf install rdkit-postgresql
The full list of packages in this repo is located here
Feel free to contact me (firstname.lastname@example.org) for any issue about these packages
The following unofficial repositories are provided as-is by owner of this project. Contact the owner directly for bugs or issues (IE: not bugzilla).
|Epel for CentOS 7||x86_64 (4)*||Epel for CentOS 7 (515 downloads)|
|Fedora 27||x86_64 (2)*||Fedora 27 (98 downloads)|
* Total number of packages downloaded in the last seven days.