polymer_chain
LAMMPS files to simulate a small polyurethane chain (by nuwan-d)
IPSuite
Machine Learned Interatomic Potential Tools (by zincware)
| polymer_chain | IPSuite | |
|---|---|---|
| 1 | 2 | |
| 6 | 14 | |
| - | - | |
| 0.0 | 8.8 | |
| almost 4 years ago | 9 days ago | |
| Python | Python | |
| - | Eclipse Public License 2.0 |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
polymer_chain
Posts with mentions or reviews of polymer_chain.
We have used some of these posts to build our list of alternatives
and similar projects.
-
I was asking if there is other software or scripts that can help me to calculate different Physical quantities for polyurethane?
I found this code on GitHub, it's about polyurethane simulation with lammps with a Python script plot_energy.py that can be used to plot the variation of energy with time.
IPSuite
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
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?
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
What are some alternatives?
When comparing polymer_chain and IPSuite you can also consider the following projects:
senpai - Molecular dynamics simulation software [Moved to: https://github.com/Chelsea486MHz/senpai]
ZnTrack - Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.
lammps - Public development project of the LAMMPS MD software package
messages - xcompute sub-module (CAE schema layer) including serialization utilities and bindings
YouTube-Downloader - A simple YouTube video downloader app available on Linux and Windows
mangadex-dl - A Python CLI program that lets you download manga from mangadex.org as PDF or as Images
autoinject - Automated dependency injection for Python
plombery - Python task scheduler with a user-friendly web UI