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PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data.

, , , и . J. Chem. Inf. Model., 64 (3): 584-589 (2024)

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Gianni Capalbo

Aggy Gianni

Gianni Bomio

Gianni Brada

Gianni Monti

 

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Computational Modeling of an Epidermal Growth Factor Receptor Single-Mutation Resistance to Cetuximab in Colorectal Cancer Treatment., , и . Journal of Chemical Information and Modeling, 53 (12): 3123-3126 (2013)JCIM Special Issue on Generative Models for Molecular Design., , и . J. Chem. Inf. Model., 60 (3): 1072 (2020)SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials., , , , , , , , , и 2 other автор(ы). CoRR, (2022)LigVoxel: inpainting binding pockets using 3D-convolutional neural networks., , , , и . Bioinform., 35 (2): 243-250 (2019)BricksRL: A Platform for Democratizing Robotics and Reinforcement Learning Research and Education with LEGO., , и . CoRR, (2024)TorchRL: A data-driven decision-making library for PyTorch., , , , , , , и . ICLR, OpenReview.net, (2024)TorchMD: A deep learning framework for molecular simulations., , , , , , , и . CoRR, (2020)Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series., , , , и . J. Chem. Inf. Model., 63 (8): 2438-2444 (апреля 2023)Binding-and-folding recognition of an intrinsically disordered protein using online learning molecular dynamics., , и . CoRR, (2023)Equivariant Transformers for Neural Network based Molecular Potentials., и . ICLR, OpenReview.net, (2022)