kimjc95 / computational-chemistryView external linksLinks
Google Colaboratory Notebooks for Computational Biochemistry
☆21Jun 15, 2025Updated 8 months ago
Alternatives and similar repositories for computational-chemistry
Users that are interested in computational-chemistry are comparing it to the libraries listed below
Sorting:
- User friendly molecular dynamics simulation combining Modeller, OpenMM and Google Colab: A complete guide☆19Feb 8, 2026Updated last week
- ☆19Jun 19, 2019Updated 6 years ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Jan 26, 2026Updated 2 weeks ago
- Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to b…☆32Sep 11, 2025Updated 5 months ago
- Pipeline converting PDB files to docking-ready PDBQT format☆21Apr 23, 2025Updated 9 months ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17May 22, 2020Updated 5 years ago
- A meticulously curated resource list focused on computational methods for drug discovery.☆96Nov 15, 2025Updated 3 months ago
- Enable Samsung DEX on inner screen for the Galaxy Fold series.☆10Feb 2, 2026Updated last week
- Implementation of Hamcrest for JSL.☆12Feb 6, 2023Updated 3 years ago
- Free Parametrization for Small Molecules☆50Feb 4, 2026Updated last week
- The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative struct…☆36Feb 14, 2024Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Feb 4, 2026Updated last week
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 2 months ago
- My computational biology course as it evolves in real time☆14Aug 31, 2021Updated 4 years ago
- ☆18Dec 5, 2024Updated last year
- This repository contains a QSAR model that predicts the ability of a chemical compound to inhibit the gene associated with Alzheimer's, B…☆11Oct 1, 2021Updated 4 years ago
- Powered by Cocos Code IDE☆18Sep 10, 2014Updated 11 years ago
- A virtual mouse for android phones without touchscreens. Created for the TCL Flip 2.☆13Mar 18, 2025Updated 10 months ago
- Statistical Mechanics for Chemistry and Biology☆13Updated this week
- Electronic lab notebook for organic chemistry☆15Feb 6, 2026Updated last week
- Python library and utilities for generating and transferring data to Timex Data Link smartwatches☆12Jul 18, 2023Updated 2 years ago
- The code for the QuickVina homepage.☆36Nov 7, 2022Updated 3 years ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 3 years ago
- ☆28Jun 18, 2015Updated 10 years ago
- Utility to convert Spade device video streams to MJPEG for live viewing in web browsers, VLC, etc.☆11Nov 20, 2023Updated 2 years ago
- File duplicate remover for Synology DSM 213j+☆11Jun 15, 2018Updated 7 years ago
- Python package providing functionality and plotting for chemistry method comparison☆15Feb 28, 2024Updated last year
- ☆12Jan 27, 2023Updated 3 years ago
- R code and data files used in Dave Langer's YouTube video series "R Programming Rules!"☆13Jun 14, 2021Updated 4 years ago
- Streamlit web application to deploy a machine learning binary classifier to predict the activity of antimicrobial peptides☆10Dec 13, 2022Updated 3 years ago
- Displays IP address on the Sense Hat, useful for headless operation of the Raspberry Pi with Sense Hat esp. for events like training work…☆15Aug 10, 2016Updated 9 years ago
- SISTER: Space-based Imaging Spectroscopy and Thermal pathfindER☆12Feb 7, 2024Updated 2 years ago
- Public version for DistPepFold☆10Jul 17, 2025Updated 6 months ago
- Educational Notes on Molecular Modeling☆13Nov 19, 2020Updated 5 years ago
- Linear MALDI-ToF simultaneous spectrum deconvolution and baseline removal☆11Jan 23, 2020Updated 6 years ago
- Modified UEFI ROMs for macOS support☆11Sep 19, 2024Updated last year
- Rust bindings for the Logitech Gaming LED Illumination SDK☆10Jun 10, 2018Updated 7 years ago
- Template for a computational lab notebook using bookdown☆13Mar 16, 2018Updated 7 years ago
- Processes FTIR spectra of natural organic matter by finding exact peak locations, baseline-correcting the peaks, and converting them to r…☆11Aug 29, 2018Updated 7 years ago