Lovely software

Software that you should know.

Molecular calculations:

• e^T: eT is an open-source program with coupled cluster, multiscale and multilevel methods. 📄

Molecular viewer:

• nglview: An IPython/Jupyter widget to interactively view molecular structures and trajectories. Utilizes the embeddable NGL Viewer for rendering. Support for showing data from the file-system, RCSB PDB, simpletraj and from objects of analysis libraries mdtraj, pytraj, mdanalysis, ParmEd, rdkit, ase, HTMD, biopython, cctbx, pyrosetta, schrodinger’s Structure.