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silkemaes committed Jul 29, 2024
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5 changes: 1 addition & 4 deletions README.md
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Expand Up @@ -4,9 +4,6 @@ Welcome to the MACE repository!

***MACE, a Machine-learning Approach to Chemistry Emulation***, by [Maes et al. (*in press.*)](https://ui.adsabs.harvard.edu/abs/2024arXiv240503274M/abstract), is a surrogate model for chemical kinetics. It is developed in the contexts of circumstellar envelopes (CSEs) of asymptotic giant branch (AGB) stars, i.e. evolved low-mass stars.

Currently it still under development.
Planned release: Sept 2024

MACE is implemented in Python and uses [PyTorch](https://pytorch.org/), together with [torchode](https://github.com/martenlienen/torchode) [(Lienen & Gunnemann, 2022)](https://openreview.net/pdf?id=uiKVKTiUYB0), to be trained.

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(version 0.0.7)
(version 0.0.7)
2 changes: 1 addition & 1 deletion src/mace/utils.py
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Expand Up @@ -115,7 +115,7 @@ def get_specs():

loc_specs = parentpath+'data/rate16.specs'

specs = np.loadtxt(loc_specs, usecols=(1), dtype=str, skiprows = 1, max_rows=466)
specs = np.loadtxt(loc_specs, usecols=(1), dtype=str, skiprows = 1, max_rows=469)

specs_dict = dict()
idx_specs = dict()
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