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.
The C++ code is available for download here, together with the installation steps, and the code documentation.
You can browse our database of 159 virtual antigens; the binding of 7 millions murine as well as 1 million human CDRH3 sequences to them; and select the optimal datasets for your ML task. <this is a temporary link waiting for repository acceptance>