A library for Computational Chemistry in the Go programming language
☆46Jan 4, 2026Updated 3 months ago
Alternatives and similar repositories for gochem
Users that are interested in gochem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automated bonded parameters for Martini 3☆26Jul 20, 2025Updated 8 months ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆22Jun 7, 2025Updated 10 months ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated 7 months ago
- Ideas for chemical similarity searches in MongoDB.☆28Feb 8, 2015Updated 11 years ago
- PARCE version 1.0☆12Feb 1, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 2 years ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆19Apr 27, 2024Updated last year
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- ⚙️🐺 Robotic chemistry made easy☆32Mar 1, 2023Updated 3 years ago
- A pure Go CSV file transcoder☆12Aug 13, 2024Updated last year
- The Stream and Genlex libraries for use with Camlp4 and Camlp5☆16Oct 14, 2025Updated 6 months ago
- Automatic backup tool for game save files, or any other app.☆11May 20, 2024Updated last year
- C++ Chemical Kinetics, Thermodynaimics, and Transport Library☆25May 19, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Create architectural diagrams from Go code.☆13Dec 6, 2022Updated 3 years ago
- ☆14Mar 7, 2024Updated 2 years ago
- Dock organometallic compounds to proteins/DNA/biomolecules☆21May 26, 2025Updated 10 months ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Computational chemistry software tutorials☆27Jan 15, 2019Updated 7 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆29May 8, 2025Updated 11 months ago
- Useful tools written for Gaussian (an electronic structure program for computational chemistry)☆31Apr 20, 2017Updated 8 years ago
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆20Aug 14, 2020Updated 5 years ago
- 010 Editor Template for parsing VMware Disk(vmdk) images☆16Sep 12, 2018Updated 7 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆14May 9, 2018Updated 7 years ago
- Primitives for reading and writing the SMILES language in Rust.☆27Sep 9, 2022Updated 3 years ago
- Cancellable flow-net (a concurrent pattern) for Go programming language☆20Jun 4, 2017Updated 8 years ago
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆25Oct 19, 2022Updated 3 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Mar 12, 2026Updated last month
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- Gauge-including magnetically induced currents.☆32Dec 7, 2023Updated 2 years ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Jan 27, 2023Updated 3 years ago
- HELM2NotationToolkit is the reference implementation of the new HELM 2 standard with support for ambiguous structures.☆11May 24, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆20Jan 31, 2021Updated 5 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- Reference implementation for the Balsa molecular line notation.☆19Apr 18, 2024Updated last year
- CH485 - Artificial Intelligence and Chemistry☆14Jan 1, 2020Updated 6 years ago
- Deep learning for molecules quantum chemistry properties prediction☆40Apr 14, 2021Updated 5 years ago
- ☆16Apr 10, 2019Updated 7 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆38May 8, 2023Updated 2 years ago