Software for the prediction of DEER and PRE data from conformational ensembles.
☆14May 6, 2025Updated last year
Alternatives and similar repositories for DEERpredict
Users that are interested in DEERpredict are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Integrating Molecular Simulation and Experimental Data☆27Sep 19, 2021Updated 5 years ago
- ELViM is a method for visualizing the energy landscapes of biomolecules simulations.☆17Aug 18, 2025Updated last year
- UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine lear…☆28Aug 13, 2026Updated last month
- Constant pH simulation with OpenMM☆20Aug 14, 2026Updated last month
- Deep Neural Networks for Analysing NMR time domain data☆14Aug 4, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Christmas tree protein☆19Dec 27, 2024Updated last year
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 8 years ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆44Jul 24, 2026Updated 2 months ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Force fields in various formats☆26May 2, 2024Updated 2 years ago
- Useful Collective Variables for OpenMM☆18May 9, 2024Updated 2 years ago
- ProtT5 (Transformer) embeddings used for residue wise disorder prediction in proteins☆13Mar 11, 2024Updated 2 years ago
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆31Sep 16, 2021Updated 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…☆59May 3, 2024Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Building more accurate protein structures from backbone torsion angles☆16Mar 21, 2025Updated last year
- generate pseudo-AFM image file from structure file☆16May 15, 2024Updated 2 years ago
- A python module to plot secondary structure schemes☆26Mar 18, 2026Updated 6 months ago
- N-Dimensional MD engine with symmetry group constraints written in C☆49Jul 24, 2024Updated 2 years ago
- Force Fields☆72Jan 27, 2025Updated last year
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26May 12, 2021Updated 5 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 6 years ago
- protein folding app running on modal☆39May 30, 2026Updated 3 months ago
- ☆97Sep 14, 2026Updated last week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Q6 Repository -- EVB, FEP and LIE simulator.☆35Nov 7, 2023Updated 2 years ago
- Unified all-atom structure-conditioned molecule generation☆22Nov 21, 2025Updated 10 months ago
- nanobody melting temperature prediction using protein embeddings☆13Feb 24, 2025Updated last year
- ☆12May 20, 2019Updated 7 years ago
- Using Gomacs from IPython notebook☆20Apr 8, 2014Updated 12 years ago
- Disordered protein ensemble prediction☆16Updated this week
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆36Jun 22, 2026Updated 3 months ago
- Tools making use of BiopLib☆18Nov 21, 2025Updated 10 months ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- faster docking☆21Apr 7, 2021Updated 5 years ago
- IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook☆43Feb 14, 2019Updated 7 years ago
- ☆11Feb 18, 2019Updated 7 years ago
- OpenMM plugin to interface with PLUMED☆82Aug 31, 2026Updated 3 weeks ago
- A computational method to optimize degenerate codons for synthesizing an informed combinatorial mutagenesis protein variant library☆17Feb 18, 2025Updated last year
- ☆154May 18, 2026Updated 4 months ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆42Jun 19, 2026Updated 3 months ago