patrickfuller / imolecule
An embeddable webGL molecule viewer and file format converter.
☆85Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for imolecule
- MD trajectory server☆35Updated last year
- Macromolecular viewer for crystallographers (WebGL)☆38Updated 6 months ago
- A script for importing molecular geometries into Blender☆32Updated 2 years ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Updated 4 years ago
- Notebook-integrated tools for molecular simulation and visualization☆165Updated 6 years ago
- Sire Molecular Simulations Framework☆95Updated last year
- For discussing and aggregating data for force field development☆15Updated 8 years ago
- The new generation molecular viewer for IPython notebook☆81Updated 4 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 6 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆45Updated 9 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆76Updated 2 months ago
- A python module for manipulating cartesian and internal coordinates.☆73Updated 6 months ago
- Python wrapper for the ChemSpider API☆112Updated 6 years ago
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆46Updated last month
- Main code repository for FATSLiM☆21Updated 2 years ago
- ☆18Updated last month
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Updated 2 years ago
- Molecular kaleidoscope☆15Updated 6 years ago
- Chemical perception tree automated exploration tool.☆19Updated 6 years ago
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- Tinker: Software Tools for Molecular Design☆130Updated last week
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- LOOS: a lightweight object-oriented structure analysis library☆122Updated 2 weeks ago
- Julia utilities for reading in and analyzing Gromacs simulation results☆17Updated 4 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆87Updated last year
- Molecular structure optimizer☆113Updated last year
- A library to interface molecules and machine learning.☆65Updated 5 years ago
- Python Library for Automating Molecular Simulations☆67Updated this week
- MDAnalysis wrapper around Packmol☆28Updated last year
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆75Updated 6 years ago