NeVAE: A Deep Generative Model for Molecular Graphs. - Bidisha Samanta; Abir De; Gourhari Jana; Pratim Kumar Chattaraj; Niloy Ganguly; Manuel Gomez Rodriguez (AAAI, 2019)

Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study. - Gourhari Jana; Pratim Kumar Chattaraj (J. Comput. Chem., 2020)

NEVAE: A Deep Generative Model for Molecular Graphs. - Bidisha Samanta; Abir De; Gourhari Jana; Vicenç Gómez; Pratim Kumar Chattaraj; Niloy Ganguly; Manuel Gomez-Rodriguez (J. Mach. Learn. Res., 2020)

Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach. - Sukanta Mondal; Gourhari Jana; Hemant Kumar Srivastava; Garikapati Narahari Sastry; Pratim Kumar Chattaraj (J. Comput. Chem., 2023)