NFDI4Chem / nmrxivLinks
nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accelerate broader coordination and data sharing among researchers by enabling storage, management, sharing and analysis of NMR data.
☆17Updated this week
Alternatives and similar repositories for nmrxiv
Users that are interested in nmrxiv are comparing it to the libraries listed below
Sorting:
- ☆12Updated 10 years ago
- Benchmarking common tasks on proteins in various languages and packages☆42Updated 4 years ago
- Simple tool to convert Agilent, Bruker and Varian FID files to sound.☆17Updated 5 years ago
- Scripts for calculating RESP charges with Gaussian, starting only with .xyz file of your compound. Generate .mol2, .frcmod and .pdb with …☆8Updated 6 years ago
- Machine Learning based toxicity prediction tool for small molecules.☆10Updated last year
- A bare metal Python library for building and manipulating protein molecular structures☆16Updated 5 months ago
- ☆20Updated 8 years ago
- Access to data for workshops and extended tests of MDAnalysis.☆18Updated 9 months ago
- Force Distribution Analysis (FDA) for GROMACS☆34Updated last year
- AstraZeneca add-ons to Orange.☆22Updated 5 years ago
- Template-directed automatic generation of transition state structures.☆11Updated 8 years ago
- fast functionalisation of molecules☆37Updated 3 years ago
- A periodic table for Sugar☆8Updated 3 years ago
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆20Updated 8 months ago
- Graph neural network for predicting NMR chemical shifts☆52Updated 3 years ago
- JupyterLab extension for py3Dmol☆20Updated 3 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆31Updated 8 months ago
- Exemplar project in areas of Data Science for de novo Compuational Drug discovery☆10Updated 2 years ago
- ☆34Updated last month
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆18Updated 3 years ago
- Data visualizations for biomolecular dynamics☆17Updated 6 years ago
- Python package built around protein structure and dynamics. OpenBabel-inspired objects.☆36Updated last month
- Python package for the ASKCOS platform for prediction of chemical reactivity☆19Updated 3 years ago
- GAMESS wrapper for Python☆46Updated last year
- wwPDB PDBx/mmCIF Dictionary☆10Updated last month
- A suite of tools to explore protein structures with Protein Blocks☆29Updated 4 years ago
- Command line interface for MDAnalysis☆21Updated last year
- oxView: Visualization and editing tool for DNA/RNA nanotechnology and oxDNA/oxRNA configuration analysis☆54Updated 3 weeks ago
- The Biochemical Algorithms Library☆72Updated 3 years ago