Projects: pypi: i-PI
https://packages.ecosyste.ms/registries/pypi.org/packages/i-PI
A Python interface for ab initio path integral molecular dynamics simulations
1 version
Latest release: over 5 years ago
1,414 downloads last month
Enhanced Analysis
Educational Contributors:
mariana.rossi@chem.ox.ac.uk
matthias.sachs@duke.edu
gt317@cam.ac.uk
taoli@sas.upenn.edu
hirshb@tauex.tau.ac.il
matt.probert@york.ac.uk
msachs@math.duke.edu
roman@caltech.edu
Repository Activity:
Repository Owner:
i-PI (organization)
Development and distribution of i-PI
Development and distribution of i-PI
Science Score: 100/100
Starting Score: 100 points
Bonuses:
-
+160
Educational commit emails
8 contributors with educational email addresses
Penalties:
-
-10
PyPI ecosystem
General-purpose ecosystem
Very Likely Science (100)
Papers Mentioning i-PI 2
10.3390/molecules26195783
A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium NanodropletCited by: 8
Author(s): Alvaro Castillo-García, Andreas Hauser, María Pilar de Lara‐Castells, Pablo Villarreal
Software Mentions: 1
Published: almost 5 years ago
10.1063/4.0000124
Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulationsCited by: 0
Author(s): V. S. Sandeep Inakollu, Haibo Yu
Software Mentions: 1
Published: almost 5 years ago