Chemios / chemios
Chemios Framework 👨🏾🔬: Accelerating Science through Automation
☆36Updated 3 years ago
Alternatives and similar repositories for chemios:
Users that are interested in chemios are comparing it to the libraries listed below
- Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesis☆17Updated 3 years ago
- Benchmarking human and machine learning performance.☆33Updated 4 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆15Updated last week
- Python API for NIST Chemistry WebBook☆37Updated 6 months ago
- Gibbs-Helmholtz Graph Neural Network☆17Updated last year
- Python script to lookup pKa values☆26Updated 5 months ago
- ☆27Updated 2 years ago
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆50Updated last week
- ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packa…☆20Updated 2 years ago
- An open-source effort towards accessible polymer data☆32Updated 4 years ago
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆18Updated 3 years ago
- Quantum mechanical descriptor generation☆53Updated 4 years ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆42Updated 6 years ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆16Updated 3 weeks ago
- ☆28Updated 7 months ago
- rule-based virtual polymer library generator☆32Updated 2 months ago
- Golem: an algorithm for robust experiment and process optimization☆17Updated 4 years ago
- ☆18Updated 7 months ago
- The IUPAC WorldFAIR Cookbook for FAIR chemical data☆25Updated 3 months ago
- Tools for ThermoML parsing☆20Updated 3 years ago
- ☆18Updated last year
- A Benchmark Implementation of COSMO-SAC☆58Updated last month
- ARC - Automatic Rate Calculator☆45Updated last week
- Optimising chemical reactions using machine learning☆127Updated 6 months ago
- Physical validation of molecular simulations☆56Updated 2 months ago
- fastsolv python package, website, and paper code☆16Updated this week
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆34Updated 8 months ago
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆23Updated last month
- The Tandem Tool (T3) for automated chemical kinetic model development☆13Updated 2 weeks ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 5 months ago