moldyn / FastPCALinks
Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.
☆11Updated 3 years ago
Alternatives and similar repositories for FastPCA
Users that are interested in FastPCA are comparing it to the libraries listed below
Sorting:
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 months ago
- ☆30Updated 8 months ago
- A unified and modular interface to homology modelling software☆11Updated 2 years ago
- Source code for the BUDE Alanine Scan web application.☆12Updated 8 months ago
- Protein-Protein Docking using Genetic Algorithm☆19Updated this week
- ☆13Updated 6 years ago
- EvoEF + evolutionary profile for ddG_bind prediction☆14Updated 3 months ago
- Prediction of Protein-Small molecule binding affinities☆19Updated 4 months ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Updated 11 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Updated 9 years ago
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Updated 8 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated 4 months ago
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Updated 5 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Updated 5 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 9 months ago
- Computational Analysis of Novel Drug Opportunities☆40Updated 3 weeks ago
- Target prediction☆13Updated 5 years ago
- PCA and normal mode analysis of proteins☆20Updated last year
- ☆13Updated 4 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Updated 3 years ago
- ProQDock is a Protein-Protein docking scoring program that uses high level coordinate driven features compiled and trained by a Support V…☆11Updated 4 years ago
- ☆19Updated 11 months ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Updated 6 months ago
- Protein common interface databases☆10Updated 6 years ago
- Paper for release☆11Updated 4 years ago
- A collection of molecular modelling tools for UCSF Chimera☆17Updated 6 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year