Fast estimation of ion-pairing for screening electrolytes
☆11Aug 23, 2022Updated 4 years ago
Alternatives and similar repositories for CLIPS
Users that are interested in CLIPS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- CuPd cluster expansion calculations☆12Oct 27, 2016Updated 9 years ago
- Restraintmaker is a tool intended to build Position or Distance restraints for Molecular Dynamics simulations (or any other simulation te…☆19Oct 27, 2022Updated 3 years ago
- ☆19Jul 10, 2026Updated last month
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- This repo contains the solutions for the book Python Programming And Numerical Methods: A Guide For Engineers And Scientists☆12Jul 31, 2021Updated 5 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆22Jun 6, 2024Updated 2 years ago
- View chemicals as graphs and perform operations on graphs for predictive chemistry☆30Jan 4, 2026Updated 7 months ago
- User-friendly Freeware for Determining the Concentration of Electrolyte Components in Lithium-Ion Cells Using Fourier Transform Infrared …☆14Dec 8, 2022Updated 3 years ago
- Builder for molecular systems☆17Feb 3, 2026Updated 6 months ago
- Examples of using the Atomic Simulation Environment☆39Feb 15, 2016Updated 10 years ago
- A free energy command line tool using alchemlyb☆17Dec 11, 2022Updated 3 years ago
- a python package for simulation☆27Dec 9, 2024Updated last year
- homework problems from the 2nd edition of Statistical Rethinking by Richard McElreath worked in R-INLA☆25Jun 29, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆10Feb 3, 2025Updated last year
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆17Nov 20, 2025Updated 9 months ago
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- 准考证生成器☆19Jun 8, 2018Updated 8 years ago
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆16Jun 24, 2021Updated 5 years ago
- ☆17Jan 2, 2021Updated 5 years ago
- A Python package for building nonparametric force fields from machine learning☆16Feb 12, 2020Updated 6 years ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆29Aug 24, 2026Updated last week
- Lattice Convolutional Neural Network (LCNN)☆11Sep 15, 2021Updated 4 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Python code for generating Boresch restraints from MD simulations☆23Oct 11, 2025Updated 10 months ago
- Repository for the 2023 ELLIS Machine Learning for Molecules Discovery workshop☆18Dec 7, 2023Updated 2 years ago
- An elementary MD simulation program written in python☆24Sep 29, 2021Updated 4 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36May 20, 2026Updated 3 months ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆25Oct 2, 2024Updated last year
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Oct 29, 2022Updated 3 years ago
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆37Aug 18, 2026Updated last week
- Course repository for 06-623☆13Mar 31, 2020Updated 6 years ago
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Mar 21, 2023Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Theory Infused Neural Network☆11May 6, 2026Updated 3 months ago
- ☆12Nov 3, 2019Updated 6 years ago
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- ☆15Feb 5, 2025Updated last year
- ☆12Aug 30, 2023Updated 3 years ago
- ☆19Dec 1, 2025Updated 8 months ago
- An interactive viewer☆14Jun 17, 2020Updated 6 years ago