Concepedia
Statistics
Publications
150
Citations
6.5K
Authors
5
Location
Barcelona, Spain
Acellera (Spain) is a company institution in Barcelona, Spain known for engineering, biophysics, and molecular biology.
Top concepts
EngineeringBiophysicsMolecular BiologyMolecular DynamicsComputational BiologyMedicineComputational ChemistryMolecular DesignNatural SciencesMolecular Simulation
P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry
Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett et al. · The Journal of Chemical Physics · 2020 · 923 citations · Full text
HTMD: High-Throughput Molecular Dynamics for Molecular Discovery
Stefan Doerr, M J Harvey, Frank Noé et al. · Journal of Chemical Theory and Computation · 2016 · 473 citations
Engineering, Markov State Models, Molecular Biology +18
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
Peter Eastman, Raimondas Galvelis, Raúl P. Peláez et al. · The Journal of Physical Chemistry B · 2023 · 350 citations · Full text
Engineering, Machine Learning, Physics +15
Shape-Based Generative Modeling for de Novo Drug Design
Miha Škalič, José Jiménez-Luna, Davide Sabbadin et al. · Journal of Chemical Information and Modeling · 2019 · 249 citations
Geometric Learning, Engineering, Machine Learning +23
TorchMD: A Deep Learning Framework for Molecular Simulations
Stefan Doerr, Maciej Majewski, Adrià Pérez et al. · Journal of Chemical Theory and Computation · 2021 · 218 citations · Full text
Engineering, Molecular Biology, Machine Learning Potentials +16
1–5 of 150
Acellera (Spain), Spain
53 publications · 2.7K citations
20
h-index
7 publications · 133 citations
3
7 publications · 63 citations
2
2 publications · 923 citations
1
5 publications · 18 citations
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