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Supervision in a changing world: Reflections from child psychotherapy
Taylor & Francis Verlag | 2023| -
Constructing Effective Machine Learning Models for the Sciences: A Multidisciplinary Perspective
Free accessArXiv | 2022| -
Modelling Flexible Protein-Ligand Binding in p38α MAP Kinase using the QUBE Force Field
Free accessChemRxiv | 2019| -
Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection
American Chemical Society | 2018| -
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
Free accessChemRxiv | 2019| -
Modelling flexible protein–ligand binding in p38α MAP kinase using the QUBE force field
Royal Society of Chemistry | 2020| -
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
American Chemical Society | 2019| -
Best Practices for a Future Open Code Policy: Experiences and Vision of the Astrophysics Source Code Library
Free accessArXiv | 2018| -
Development and Validation of the Quantum Mechanical Bespoke Protein Force Field
Free accessAmerican Chemical Society | 2019| -
Fault tolerance for power loss imminent circuitry failure
Free accessEuropean Patent Office | 2021| -
FAULT TOLERANCE FOR POWER LOSS IMMINENT CIRCUITRY FAILURE
Free accessEuropean Patent Office | 2019| -
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE
Free accessAmerican Chemical Society | 2021| -
Machine Learning Potentials with the Iterative Boltzmann Inversion: Training to Experiment
American Chemical Society | 2024| -
Machine learning potentials with Iterative Boltzmann Inversion: training to experiment
Free accessArXiv | 2023| -
Molecular dynamics of high pressure tin phases: Empirical and machine learned interatomic potentials
American Institute of Physics | 2023| -
Bring out your codes! Bring out your codes! (Increasing Software Visibility and Re-use)
Free accessArXiv | 2012| -
Report on the Fourth Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE4)
Free accessArXiv | 2017| -
Fourth workshop on sustainable software for science:Practice and experiences (WSSSPE4)
Free accessBASE | 2018| -
Nine Best Practices for Research Software Registries and Repositories: A Concise Guide
Free accessArXiv | 2020|