gabrielelanaro / chemviewLinks
The new generation molecular viewer for IPython notebook
☆82Updated 5 years ago
Alternatives and similar repositories for chemview
Users that are interested in chemview are comparing it to the libraries listed below
Sorting:
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- A python module for manipulating cartesian and internal coordinates.☆79Updated last month
- Parallel implementation of the Effective Fragment Potential Method☆24Updated 2 years ago
- Automated Monte Carlo Conformational Searching with Python☆17Updated 4 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- MolMod is a collection of molecular modelling tools for python.☆59Updated last year
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆51Updated this week
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Updated 5 years ago
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- Python library for advanced atomistic simulations☆23Updated 7 years ago
- A class for conversion between zmatrices and cartesian coordinates☆33Updated 5 years ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆53Updated last year
- Chemical perception tree automated exploration tool.☆19Updated 6 years ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆22Updated last year
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆30Updated 4 months ago
- ☆20Updated 3 weeks ago
- Molecular structure optimizer☆118Updated 2 years ago
- MDAnalysis wrapper around Packmol☆31Updated 2 years ago
- A JupyterLab launcher extension to view the molecular orbitals.☆18Updated 8 months ago
- MolSSI Integral Reference Project☆25Updated 4 years ago
- Dihedral scanner with wavefront propagation☆34Updated last month
- ☆58Updated last month
- Flexible storage of chemical topology for molecular simulation☆59Updated last week
- Basis set optimization library for quantum chemistry☆35Updated last year
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆12Updated 6 years ago
- Amons-based quantum machine learning for quantum chemistry☆24Updated 2 years ago
- For discussing and aggregating data for force field development☆15Updated 8 years ago