Welcome to the DART platform, a cutting-edge suite of tools for the generation and exploration of mono-metallic transition metal complexes! Developed by the CCEM group at Trinity College Dublin, DART is engineered to facilitate the design and analysis of molecular complexes for chemistry research.
DART integrates a collection of modules, each serving a unique function in the assembly process:
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MetaLig : Explore the comprehensive MetaLig database with 41,018 ligands extracted from the Cambridge Structural Database, complete with high-quality formal charge assignments.
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Assembler : Assemble novel transition metal complexes in a matter of seconds, guided by a simple configuration file for precise control over the resulting structures.
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Ligand Filters : Tailor assembled ligands to your research needs with a wide range of chemical and data-driven filters.
Using DART is simple. After download, just run the DART assembler and start generating complexes by executing the following command in your terminal:
DARTassembler assembler --path assembly_input.yml
The documentation of DART under https://dartassembler.readthedocs.io will show you how to install and use DART.
Please cite our paper.
The documentation contains a section about the Pd/Ni cross coupling example that was used in the paper. It will show you how to reproduce the results of the paper.
DART is subject to the GPL-3.0-or-later license. See LICENSE for more information.
We are grateful to the providers of the Cambridge Structural Database, which is the source of all ligands in the ligand database.