UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins.
☆24Jun 10, 2025Updated 9 months ago
Alternatives and similar repositories for CSpred
Users that are interested in CSpred are comparing it to the libraries listed below
Sorting:
- Software for the prediction of DEER and PRE data from conformational ensembles.☆13May 6, 2025Updated 10 months ago
- Disordered protein ensemble prediction☆12Feb 19, 2026Updated last month
- BMRB data visualization tools using python Plotly☆15Aug 21, 2025Updated 6 months ago
- Deep Neural Networks for Analysing NMR time domain data☆13Sep 26, 2024Updated last year
- The standalone version / cli-tool of SPOT-Contact-Single available for public use for research purposes.☆16Feb 1, 2024Updated 2 years ago
- A set of tools for analyzing molecular dynamics simulations☆12Updated this week
- Graph neural network for predicting NMR chemical shifts☆54May 6, 2022Updated 3 years ago
- Interactive NMR peak deconvolution☆18Sep 17, 2025Updated 6 months ago
- AlphaFold version that is extended to integrate diversity parameters for massive sampling.☆16Feb 13, 2026Updated last month
- ☆18Feb 25, 2026Updated 3 weeks ago
- Python package for protein sequence-based bidirectional recurrent neural network. Generalizable to a variety of protein bioinformatic app…☆21Aug 5, 2025Updated 7 months ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Oct 11, 2021Updated 4 years ago
- The most atomic way to train and run inference for a GPT in 100 lines of pure, dependency-free Julia.☆99Mar 11, 2026Updated last week
- A dataset for training and benchmarking deep learning models for RNA structure prediction☆63Feb 12, 2026Updated last month
- localCIDER - sequence analysis tool for disordered protein sequences☆24May 15, 2023Updated 2 years ago
- ANN based NMR peak picker☆21Jul 30, 2025Updated 7 months ago
- ProtT5 (Transformer) embeddings used for residue wise disorder prediction in proteins☆11Mar 11, 2024Updated 2 years ago
- Building more accurate protein structures from backbone torsion angles☆15Mar 21, 2025Updated last year
- Implementation of methods to sample from Boltzmann distributions☆21Jan 24, 2023Updated 3 years ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆11Feb 7, 2025Updated last year
- ☆13Dec 18, 2019Updated 6 years ago
- Python-based library for working with computational chemistry files☆21Oct 29, 2025Updated 4 months ago
- A manually curated lists of software, publications and other resources related to the analysis of HDX-MS data.☆11Dec 15, 2025Updated 3 months ago
- STARLING - conSTruction of intrinsicAlly disoRdered proteins ensembles efficientLy vIa multi-dimeNsional Generative models☆47Dec 23, 2025Updated 2 months ago
- Benchmarking code accompanying the release of `bioemu`☆56Nov 25, 2025Updated 3 months ago
- ELViM is a method for visualizing the energy landscapes of biomolecules simulations.☆12Aug 18, 2025Updated 7 months ago
- PCA and normal mode analysis of proteins☆20May 16, 2024Updated last year
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆35Jul 22, 2025Updated 7 months ago
- ☆36Jun 17, 2025Updated 9 months ago
- ☆48Sep 25, 2024Updated last year
- AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer☆63Aug 26, 2025Updated 6 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆39May 28, 2025Updated 9 months ago
- MD-ligand-receptor is a bioinformatics pipeline written in Python for analyzing non-covalent ligand-receptor interactions in 3D structure…☆10Jun 18, 2023Updated 2 years ago
- Fast and accurate protein domain segmentation using Invariant Point Attention☆45May 22, 2025Updated 9 months ago
- Open Source Protein REdesign for You v3☆56Nov 12, 2025Updated 4 months ago
- Graphormer Based Protein Sequence Design☆26Feb 2, 2024Updated 2 years ago
- 🎈 Structure-aware adapter fine-tuning PLMs, with high training speed and impressive performance (Journal of Chemical Information and Mod…☆26May 16, 2025Updated 10 months ago
- The Continental Nodes for KNIME Extension provides data processing and reporting capabilities intended for business users of the KNIME An…☆10Sep 15, 2025Updated 6 months ago
- An application for configuring and running simulations with OpenMM☆77Oct 30, 2025Updated 4 months ago