gogulan-k / FID-NetLinks
Deep Neural Networks for Analysing NMR time domain data
☆10Updated 8 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:
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated last month
- ☆31Updated 7 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆33Updated last year
- ☆40Updated 3 weeks ago
- Fully automated high-throughput MD pipeline☆60Updated 3 weeks ago
- Adding hydrogens to molecular models☆41Updated 7 months ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆18Updated last year
- Modeling with limited data☆57Updated 6 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated 2 weeks ago
- ☆65Updated last year
- It's a package for evaluation of predicted poses, right?☆54Updated last week
- ☆64Updated this week
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆33Updated last month
- 📐 Symmetry-corrected RMSD in Python☆98Updated 3 weeks ago
- ☆54Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆45Updated 3 weeks ago
- ☆68Updated 11 months ago
- Kinase-focused fragment library☆65Updated this week
- Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range☆30Updated this week
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆57Updated 3 months ago
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago
- ☆32Updated 2 weeks ago
- Calculation of interatomic interactions in molecular structures☆95Updated 9 months ago
- FreeSASA Python Module☆54Updated last year
- A Python package to generate free energy landscape (FEL) of molecular dynamics (MD) trajectory obtained from GROMACS. It also extracts th…☆11Updated 2 months ago
- A python module to plot secondary structure schemes☆25Updated last year
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆18Updated last year
- Open-source tool to generate 3D-ready small molecules for virtual screening☆54Updated this week
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆81Updated last month
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago