Strain Visualization for Inherently Strained Organic Molecules
☆25Apr 29, 2023Updated 2 years ago
Alternatives and similar repositories for StrainViz
Users that are interested in StrainViz are comparing it to the libraries listed below
Sorting:
- Shared repo for trajectory analysis and infrastructure development☆23Feb 21, 2024Updated 2 years ago
- ☆20Dec 15, 2025Updated 2 months ago
- Gaussian Approximation Potential Training☆17Jan 22, 2022Updated 4 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Jun 6, 2024Updated last year
- ☆10May 22, 2024Updated last year
- Gauge-including magnetically induced currents.☆32Dec 7, 2023Updated 2 years ago
- Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform☆12Jul 23, 2025Updated 7 months ago
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆74Feb 2, 2025Updated last year
- A tool for constructing accurate machine learning force fields in moir\'e systems☆15Feb 12, 2026Updated 3 weeks ago
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 3 years ago
- An API for the Polarizable Continuum Model☆36May 31, 2023Updated 2 years ago
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆42Nov 3, 2022Updated 3 years ago
- ☆11Aug 19, 2025Updated 6 months ago
- ☆14Jul 13, 2025Updated 7 months ago
- Accelerated molecular crystal structure determination from powder diffraction data☆13Jun 20, 2025Updated 8 months ago
- 区块链-默克尔树算法python实现☆11May 2, 2018Updated 7 years ago
- 经济学数据☆10Nov 7, 2021Updated 4 years ago
- Bayesian inference of conformational populations☆13Jun 11, 2025Updated 8 months ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- https://www.tekna.no/en/events/workshop-practical-use-of-rag-49875/☆11Apr 25, 2025Updated 10 months ago
- md++ code☆14Updated this week
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆47Feb 11, 2026Updated 3 weeks ago
- ☆13Feb 20, 2024Updated 2 years ago
- A Julia package wrapping SHTOOLS, the Spherical Harmonic Tools☆11Oct 17, 2023Updated 2 years ago
- Supplementary scripts for Z1+ users☆16Dec 12, 2025Updated 2 months ago
- Powder X-ray diffraction Rietveld refinement using FullProf.☆12Mar 20, 2022Updated 3 years ago
- matlab☆10Feb 17, 2017Updated 9 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 8 years ago
- ☆17Nov 19, 2024Updated last year
- ☆11Nov 10, 2020Updated 5 years ago
- ☆16Jan 11, 2024Updated 2 years ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆47Jul 5, 2024Updated last year
- Integrated platform for unifying scientific workflow management and graph databases for transcriptome data analysis.☆10Oct 19, 2018Updated 7 years ago
- CuPd cluster expansion calculations☆12Oct 27, 2016Updated 9 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- ☆14Dec 27, 2022Updated 3 years ago
- Implementing the Double-Slit experiment in Python☆12Jan 7, 2021Updated 5 years ago
- Ochami deployment recipes☆12Feb 26, 2026Updated last week
- A collection of frequency scale factors from various sources.☆15Mar 15, 2023Updated 2 years ago