The lead developer for the GROMACS Python API (gmxapi - see https://academic.oup.com/bioinformatics/article/34/22/3945/5038467), Dr Eric Irrgang of Prof. Peter […]
This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and its associated countries .