-
101
WEDAP: A Python Package for Streamlined Plotting of Molecular Simulation Data
Published 2024“…Here, we present the WEDAP Python package for simplifying the analysis of data generated from either conventional MD simulations or the weighted ensemble (WE) path sampling method, as implemented in the widely used WESTPA software package. …”
-
102
-
103
-
104
-
105
-
106
-
107
-
108
-
109
-
110
-
111
-
112
-
113
-
114
-
115
-
116
-
117
PyGMT – Accessing and Integrating GMT with Python and the Scientific Python Ecosystem (AGU24, U12B-05)
Published 2024“…</p><p dir="ltr">PyGMT (<a href="https://www.pygmt.org/" target="_blank">https://www.pygmt.org/</a>) wraps around the very fast GMT C code to make it accessible through the Python programming language. The introduction of meaningful aliases for the single-letter flags (e. g., "region" for "R" or "projection" for "J") and ongoing efforts regarding a more Pythonic syntax for GMT arguments significantly increase user-friendliness and readability of the code. …”
-
118
-
119
-
120