gogulan-k / FID-NetLinks
Deep Neural Networks for Analysing NMR time domain data
☆12Updated 11 months ago
Alternatives and similar repositories for FID-Net
Users that are interested in FID-Net are comparing it to the libraries listed below
Sorting:
- ☆34Updated 10 months ago
- A python module to plot secondary structure schemes☆25Updated last year
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 4 months ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- ☆68Updated last year
- Force Fields☆64Updated 7 months ago
- ☆69Updated 2 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 7 months ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆35Updated last week
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- FreeSASA Python Module☆56Updated last month
- Open-source tool to generate 3D-ready small molecules for virtual screening☆63Updated 3 weeks ago
- Kinase-focused fragment library☆65Updated last week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆60Updated 3 weeks ago
- ☆85Updated last year
- pythonic interface to virtual screening software☆89Updated this week
- Ligand-Protein Interaction Mapping☆61Updated 4 months ago
- ☆45Updated 3 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆88Updated last month
- BitBIRCH clustering algorithm☆91Updated last month
- mdml: Deep Learning for Molecular Simulations☆47Updated 3 months ago
- It's a package for evaluation of predicted poses, right?☆68Updated last week
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last month
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 2 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆42Updated last month
- Simple protein-ligand complex simulation with OpenMM☆87Updated 2 years ago
- 📐 Symmetry-corrected RMSD in Python☆101Updated 2 weeks ago
- Random Acceleration Molecular Dynamics in GROMACS☆39Updated last year
- Fast, accurate, and deterministic protein side-chain packing☆33Updated 6 months ago