Absolut! is a database and C++ user interface that allows the high-throughput computation for the 3D-lattice binding of any CDRH3 sequence to any antigen, enabling the custom generation of new antibody-antigen structural datasets for ML training or testing.
Tutorials drive through the conversion of your PDB antigens into the 3D lattice and the binding of CDRH3 antibody sequences around the antigen.
The C++ code is available for download here, together with the installation steps, the precomputed structure files and the code documentation.
You can browse our database of 200 virtual antigens; the binding of 7 millions murine as well as 1 million human CDRH3 sequences to them; and select the optimal dataset for your ML task.