Autodesk / notebook-molecular-visualization
2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js
☆77Updated 6 years ago
Alternatives and similar repositories for notebook-molecular-visualization:
Users that are interested in notebook-molecular-visualization are comparing it to the libraries listed below
- MD trajectory server☆35Updated last year
- Notebook-integrated tools for molecular simulation and visualization☆165Updated 6 years ago
- psi4+RDKit☆98Updated 2 years ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated last year
- An open set of tools for automating tasks relating to small molecules☆64Updated 3 years ago
- Structure-informed machine learning for kinase modeling☆53Updated 3 weeks ago
- How to analyze molecular dynamics data with PyEMMA☆73Updated 5 years ago
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆51Updated 8 months ago
- A Python library for structural cheminformatics☆93Updated 10 months ago
- Best practice document for alchemical free energy calculations going to livecoms journal☆65Updated last month
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆87Updated last year
- Experiments with expanded ensembles to explore chemical space☆184Updated this week
- Experimental small molecule hydration free energy dataset☆30Updated 2 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆181Updated last year
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆35Updated last week
- Use UCSF Chimera Python API in a standard interpreter☆58Updated 5 years ago
- In silico chemical library engine for high-accuracy chemical property prediction☆58Updated last week
- Chemical perception tree automated exploration tool.☆19Updated 6 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆64Updated 4 years ago
- Make a bunch of molecules☆96Updated last month
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆30Updated last week
- Data visualizations for biomolecular dynamics☆18Updated 6 years ago
- ☆108Updated 8 years ago
- mmCIF Core Access Library☆40Updated this week
- ☆53Updated 4 years ago
- Molecular bloom filter tool☆114Updated 9 months ago
- Code and resources for the EPSRC BioSimSpace project.☆78Updated 2 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆122Updated last month
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated last year