IPSuite

Machine Learned Interatomic Potential Tools (by zincware)

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NOTE: The number of mentions on this list indicates mentions on common posts plus user suggested alternatives. Hence, a higher number means a better IPSuite alternative or higher similarity.

IPSuite discussion

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IPSuite reviews and mentions

Posts with mentions or reviews of IPSuite. We have used some of these posts to build our list of alternatives and similar projects. The last one was on 2023-04-05.
  • What are some good examples of well-engineered pipelines
    3 projects | /r/ScientificComputing | 5 Apr 2023
    I expaned a bit on them with my own package https://zntrack.readthedocs.io/ - a general framework for building DVC pipelines through python scripts (and more). This finally brings me to the project I'm actually working on https://github.com/zincware/IPSuite which brings all of this together for the specific use case of machine learned interatomic potentials.
  • Sunday Daily Thread: What's everyone working on this week?
    5 projects | /r/Python | 2 Apr 2023
    I'm using different regression models from the realm of machine learning to use as a surrogate to predict the interaction between particles for molecular dynamics simulations. I'm sure that the currently mostly undocumented code of my work will help you understand https://github.com/zincware/ipsuite /s

Stats

Basic IPSuite repo stats
2
14
8.8
11 days ago

zincware/IPSuite is an open source project licensed under Eclipse Public License 2.0 which is an OSI approved license.

The primary programming language of IPSuite is Python.


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