uw-cmg / MolePropView external linksLinks
☆13Sep 10, 2024Updated last year
Alternatives and similar repositories for MoleProp
Users that are interested in MoleProp are comparing it to the libraries listed below
Sorting:
- Code to build a probabilistic predictive model for HSP☆37Mar 10, 2022Updated 3 years ago
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆15May 30, 2022Updated 3 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆29Oct 24, 2025Updated 3 months ago
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆22Sep 2, 2024Updated last year
- BatteryBERT: A Pre-trained Language Model for Battery Database Enhancement☆35Sep 6, 2022Updated 3 years ago
- PyTorch implementation of SimSiam.☆12Aug 25, 2022Updated 3 years ago
- GraphRXN☆31May 22, 2023Updated 2 years ago
- ☆35Feb 17, 2022Updated 3 years ago
- Moment Invariants Local Atomic Descriptor☆34Aug 20, 2024Updated last year
- Darcy scale image analysis toolbox☆12Feb 5, 2026Updated last week
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- A phase field method for lithium dendrite☆12Oct 19, 2022Updated 3 years ago
- Automated crystal structure analysis based on blackbox optimisation☆34Oct 19, 2024Updated last year
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆32Jan 22, 2026Updated 3 weeks ago
- ☆10May 29, 2020Updated 5 years ago
- Numpy compatible polynomial representation☆12Jan 2, 2026Updated last month
- Modeling and simulation of ICS devices☆12Jan 28, 2026Updated 2 weeks ago
- Repositório das notas de aula e material computacional para a disciplina de Modelagem Matemática do Instituto de Matemática da UFRJ.☆12Jul 27, 2022Updated 3 years ago
- FOQUS: Framework for Optimization and Quantification of Uncertainty and Surrogates☆49Updated this week
- Collection of code and data related to the CHAMPS kaggle competition☆11Apr 6, 2022Updated 3 years ago
- A Code for Evaluating the IAPWS-95 Equation-of-State Model for Water☆11Jul 30, 2020Updated 5 years ago
- ☆11Apr 17, 2023Updated 2 years ago
- Dark theme for neovim☆12Dec 24, 2025Updated last month
- ☆14Dec 31, 2024Updated last year
- ☆11Jun 4, 2021Updated 4 years ago
- FoKL-GP implements Karhunen-Loève decomposed Gaussian processes with built-in forward variable selection. Decomposed GPs are key to embed…☆18Dec 6, 2025Updated 2 months ago
- Mesh adaptation utilities for coastal ocean modelling in Firedrake and Thetis.☆11Aug 3, 2021Updated 4 years ago
- Code for the Materials Scholar website☆10May 2, 2023Updated 2 years ago
- Thermodynamic calculations and diagrams for geochemistry☆10Updated this week
- Small algorithm for getting Antoine's coefficient to calculate vapor pressure from NIST web book.☆11May 30, 2021Updated 4 years ago
- Benchmark and reference set for conformational energies in peptides☆12Oct 10, 2018Updated 7 years ago
- 슬기로운 통계생활 Gang 멤버 list☆24May 6, 2024Updated last year
- Template for Python-based data science projects in the Alexandra Institute.☆13Jan 22, 2026Updated 3 weeks ago
- EPIDEMIC is an easy-to-run Matlab/Octave educational toolkit for epidemiological analysis.☆16Apr 4, 2025Updated 10 months ago
- Calculates the vapor-liquid equilibria (pressure versus temperature) phase envelope using Michelsen's continuation method.☆11Nov 12, 2022Updated 3 years ago
- Python wrapper around KINSOL (from the sundials library)☆10Nov 24, 2025Updated 2 months ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 2 years ago
- ☆44Dec 10, 2025Updated 2 months ago
- A random forest☆48Feb 18, 2025Updated 11 months ago