whitead / marvisLinks
VMD Audio/Text control with natural language
☆19Updated 4 years ago
Alternatives and similar repositories for marvis
Users that are interested in marvis are comparing it to the libraries listed below
Sorting:
- ☆38Updated 2 years ago
- ☆31Updated 2 years ago
- ☆29Updated 2 years ago
- ☆26Updated 6 months ago
- ☆40Updated 2 years ago
- Lab policies, training, style guides, etc.☆34Updated 3 weeks ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Updated last year
- ☆76Updated 2 weeks ago
- fastsolv python package, website, and paper code☆38Updated 4 months ago
- A Python toolbox to work with molecular similarity☆43Updated 3 months ago
- Computational Chemistry☆24Updated 5 months ago
- fast functionalisation of molecules☆37Updated 4 years ago
- Mindless molecule generator in a Python package.☆39Updated last month
- Automated reaction mechanism generator and general boxed molecular dynamics package for accelerated sampling in molecular dynamics simula…☆16Updated 4 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆45Updated 2 months ago
- Repository for Chemical Perception Sampling Tools☆21Updated last year
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆25Updated 7 months ago
- Run OpenMM with forces provided by any Python program☆37Updated last year
- 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…☆55Updated last year
- Molecular Property Prediction using GP with a SOAP kernel☆21Updated 5 years ago
- Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm☆10Updated last year
- Standalone charge assignment from Espaloma framework.☆46Updated 2 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆42Updated last year
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆21Updated 6 months ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆34Updated last month
- Enable cheminformatics and quantum chemistry☆77Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆21Updated 2 years ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Updated 3 months ago
- Machine learning workflows for the OpenADMET project☆34Updated last week