spdkit: Structure Predication Development Kit
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Updated
Apr 29, 2023 - Rust
spdkit: Structure Predication Development Kit
Searching proteins against a database of embeddings
Recommendation-based Basin-Hopping for cation ordering optimization
Data and code for the manuscript "Assessing the utility of CASP14 models for Molecular Replacement: https://doi.org/10.22541/au.162412334.48194370/v1
spdkit: Structure Predication Development Kit
An implementation of a genetic algorithm in Python for predicting equilibrium crystal structures for a given potential. The potential implemented here is the Daoud-Cotton model, but this can be easily changed.
Your open-source alternative to AlphaFold3🚀
A pipeline for AlphaFold2-Multimer on a SLURM compute cluster with visualization in ChimeraX.
Computing descriptors for AIRSS style SHELX files.
deep learning based prediction of structures and functional groups from MS/MS spectra
[ACL'23 main] DICE: Data-Efficient Clinical Event Extraction with Generative Models
Recurrent neural network implementations for protein secondary structure prediction and language models
A deep learning method that identifies improved protein conformational states in trajectory data from refinement simulations
A set of libraries for aligning, profiling, and predicting the structure of proteins
Active Imitation Learing with Noisy Guidance
[ACL 2023] SPEECH: Structured Prediction with Energy-Based Event-Centric Hyperspheres
Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.
PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
Visualize the inner workings of RNA bioinformatics algorithms for structure prediction, interaction prediction and sequence alignment.
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