SimonLarsen / pdb_to_cmView external linksLinks
Compute protein contact map from PDB file.
☆11May 23, 2017Updated 8 years ago
Alternatives and similar repositories for pdb_to_cm
Users that are interested in pdb_to_cm are comparing it to the libraries listed below
Sorting:
- this is the source code and data☆19Jan 25, 2019Updated 7 years ago
- ☆20Nov 30, 2021Updated 4 years ago
- Three-dimensional force fields fingerprints☆27Jan 11, 2022Updated 4 years ago
- This project is a Graphical User Interface frontend for GlycoGenius, a python program that aims to be an all-in-one solution for data ana…☆15Jan 25, 2026Updated 2 weeks ago
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆31Jul 5, 2022Updated 3 years ago
- R functions underlying ExpressAnalyst☆13Updated this week
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 4 years ago
- geoRge: a computational tool for stable isotope labelling detection in LC/MS-based untargeted metabolomics☆11Sep 17, 2021Updated 4 years ago
- A Network Integration Approach for Drug-Target Interaction Prediction☆13Apr 5, 2025Updated 10 months ago
- ☆14Mar 6, 2022Updated 3 years ago
- ☆11Nov 30, 2024Updated last year
- ☆11Apr 10, 2022Updated 3 years ago
- Brent's code for FTIR deconvolution☆12Dec 17, 2020Updated 5 years ago
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- CopyNet (Copy Mechanism in Seq2Seq) implementation with TensorFlow 2☆10Nov 21, 2022Updated 3 years ago
- Nextflow-powered MS-DIAL☆10Jan 13, 2025Updated last year
- Datasets for Drug Discovery and Development☆10Aug 22, 2020Updated 5 years ago
- ☆11Dec 27, 2021Updated 4 years ago
- ☆12Jul 10, 2022Updated 3 years ago
- ☆11Apr 19, 2019Updated 6 years ago
- ☆12Jun 14, 2025Updated 8 months ago
- GPU-Accelerated Cosine Similarity for Tandem Mass Spectrometry☆17Nov 4, 2025Updated 3 months ago
- Benchmark and reference set for conformational energies in peptides☆12Oct 10, 2018Updated 7 years ago
- A Deep LEArning-based Mass Spectra Embedder for spectral similarity scoring☆11Jun 18, 2025Updated 7 months ago
- 中国科学技术大学-微软亚洲研究院创新实践项目 医学文献翻译组☆12May 26, 2021Updated 4 years ago
- Python package for fitting dielectric/Raman/IR spectral data with an arbitrary number of different lineshape functions☆14Dec 15, 2025Updated last month
- ☆11Feb 5, 2024Updated 2 years ago
- Collisional cross-section prediction for modified and multiconformational peptides☆13Jan 19, 2026Updated 3 weeks ago
- Processing and Visualization of Proteome-wide MS-CETSA data☆13Feb 9, 2023Updated 3 years ago
- Paired Mass Distance(PMD) analysis for GC/LC-MS based nontarget analysis☆11May 6, 2025Updated 9 months ago
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- A filter algorithm with program to filter an alignment or mapping file☆12May 15, 2025Updated 8 months ago
- metabolomics/lipidomics data processing☆10Feb 17, 2021Updated 4 years ago
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆20Sep 23, 2025Updated 4 months ago
- Network representation learning on drug-target-side effects-indication graphs for side effect prediction☆13Feb 4, 2020Updated 6 years ago
- NMR structure elucidation☆18Jun 16, 2025Updated 7 months ago
- ☆12Jan 16, 2025Updated last year
- EasyPQP: Simple library generation for OpenSWATH☆11Jan 27, 2026Updated 2 weeks ago