Iván Pulido
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- Hans Fangohr2 talks
- Daniel Rodriguez4 talks
- Andrew Walker6 talks
- Valerio Maggio14 talks
- Rhydwyn McGuire4 talks
- Julia Silge5 talks
| title | conference | date |
|---|---|---|
| Reproducible molecular simulations with Python | PyCon US 2023 | 2023-04-19 |
In this talk the audience will be briefly introduced to the field of molecular dynamics simulations and its challenges. Special attention will be given to how… | ||
| Reproducible Molecular Simulations with the Help of Python | PyCon US 2023 | 2023-04-19 |
Shows how Python plus OpenMM ecosystem tools (OpenMM, openmmtools, perses) can reduce the effort to parametrize and run molecular dynamics: example scripts… | ||
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