The High Performance Collision Cross Section (HPCCS) is a new software for fast and accurate calculation of CCS for molecular ions. Based on the Trajectory Method (TM), HPCCS was parallelized and optimized to be an user-friendly program.
☆17May 11, 2020Updated 6 years ago
Alternatives and similar repositories for hpccs
Users that are interested in hpccs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆24Jul 23, 2026Updated 3 weeks ago
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆18Jun 19, 2023Updated 3 years ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- ☆14Jul 11, 2026Updated last month
- A third-party distribution of Multiwfn for gfortran, 100% free!☆20Jul 31, 2018Updated 8 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Unofficial Python client for ILThermo 2.0 with SMILES-enriched ionic-liquid data for cheminformatics, thermodynamics, and ML workflows.☆13May 16, 2026Updated 2 months ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Jun 12, 2026Updated 2 months ago
- Metabolome Annotation Workflow☆26Oct 31, 2025Updated 9 months ago
- ☆10Mar 2, 2021Updated 5 years ago
- Program for revealing non-covalent interactions☆37Oct 21, 2022Updated 3 years ago
- A powerful Laravel storage driver that enables seamless synchronization of files across multiple disks, with an integrated cache disk for…☆15Nov 11, 2025Updated 9 months ago
- spICP-MS calculator.☆14Aug 4, 2026Updated last week
- Tools for training and evaluating CIDER functionals for use in Density Functional Theory calculations☆10Mar 5, 2024Updated 2 years ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆20Jul 3, 2024Updated 2 years ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- ☆15May 17, 2024Updated 2 years ago
- Miscellaneous IPython notebooks about chemical physics and science teaching.☆13Feb 11, 2025Updated last year
- Official implementation of DeepDFT model☆90Feb 28, 2023Updated 3 years ago
- Web app for automated, systematic, and integrated RNA-seq differential expression analysis☆16May 1, 2026Updated 3 months ago
- ☆29Apr 11, 2024Updated 2 years ago
- Open-source stochastic GW software☆15Apr 28, 2025Updated last year
- ☆13Aug 20, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Just simple JavaScript framework. Provides support for manipulating with DOM and events handling. Easy for use, optimized for performance…☆11Feb 15, 2017Updated 9 years ago
- An open-source prediction framework for peptide ion collision cross section (CCS) values with python.☆15Oct 6, 2023Updated 2 years ago
- Adds a Doctrine Id generator which uses an ordered UUID in MySQL for extra performance. Uses methods described in Karhik Appigatla's arti…☆10Jun 8, 2015Updated 11 years ago
- Sparse Matrix Factorization (SMF) is a key component in many machine learning problems and there exist a verity a applications in real-w…☆12Jan 25, 2016Updated 10 years ago
- 💾 Optimize Laravel caching with Cachetastic! Cache method results, force refresh, handle errors, and boost app performance effortlessly.☆13Jan 26, 2026Updated 6 months ago
- faster docking☆21Apr 7, 2021Updated 5 years ago
- Libraries for fine isotopic structure calculator.☆43Updated this week
- Sekai Viewer but built with Next, optimized for performance☆11Jan 20, 2023Updated 3 years ago
- My personal dotfiles with automated macOS setup. Features smart installation scripts, Bats testing (bash), performance monitoring, and 2…☆11Jul 13, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections☆15Jul 6, 2026Updated last month
- ☆27Jan 20, 2022Updated 4 years ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆50May 31, 2024Updated 2 years ago
- Backpack Attachments is a FiveM resource for attaching weapons and items to players' backs. It supports customizable attachment points, h…☆10Nov 14, 2024Updated last year
- Just another Jumpcut fork☆18Jan 24, 2022Updated 4 years ago
- An experimental python library to compile and analyze the cost of any desired composite simulation in real or imaginary time, and with or…☆11Feb 9, 2024Updated 2 years ago
- Donostia Natural Orbital Functional Software☆27May 18, 2026Updated 2 months ago