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  Molecular Materials and Informatics have just released an update for the Molecular notebook app.A desktop app to draw chemical structures and reactions, and to organise your data in convenient spreadsheet-like files. The Molecular Notebook is designed...
  TTclust DOI s a python program used to cluster molecular dynamics simulation trajectories. It only requires a trajectory and a topology file (compatible with most molecular dynamic packages such as Amber, Gromacs, Chramm, Namd or trajectory in PDB format...
  Just highlighted on the RDKit email list, you can install RDKit using conda.https://anaconda.org/conda-forge/rdkitRDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.There are other cheminformatics toolkits...

Most popular posts

  Molecular Materials and Informatics have just released an update for the Molecular notebook app.A desktop app to draw chemical structures and reactions, and to organise your data in convenient spreadsheet-like files. The Molecular Notebook is designed...
  TTclust DOI s a python program used to cluster molecular dynamics simulation trajectories. It only requires a trajectory and a topology file (compatible with most molecular dynamic packages such as Amber, Gromacs, Chramm, Namd or trajectory in PDB format...
  Just highlighted on the RDKit email list, you can install RDKit using conda.https://anaconda.org/conda-forge/rdkitRDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.There are other cheminformatics toolkits...