richardingham / octopus
Real-time laboratory automation and monitoring in Python.
☆21Updated last year
Alternatives and similar repositories for octopus:
Users that are interested in octopus 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 2 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆15Updated this week
- A brain for self-driving laboratories☆29Updated 3 weeks ago
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆10Updated 3 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆17Updated 3 months 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
- Python script to lookup pKa values☆25Updated 3 months ago
- ☆20Updated last year
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated 3 months ago
- ☆18Updated 2 weeks ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Updated 4 years ago
- A tool for the (high-throughput) processing of HPLC data.☆36Updated last year
- ☆19Updated 5 years ago
- A Python based code to construct a Sorted Coulomb matrix from Smile strings (CSV input) of molecules . An optional scikit-learn is invoke…☆23Updated 8 years ago
- ☆26Updated 3 weeks ago
- MD trajectory server☆34Updated last year
- Modeling Tanimoto distributions for RDKit☆16Updated 4 years ago
- Golem: an algorithm for robust experiment and process optimization☆16Updated 3 years ago
- ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packa…☆20Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆25Updated last year
- Automated reaction mechanism generator and general boxed molecular dynamics package for accelerated sampling in molecular dynamics simula…☆16Updated 3 years ago
- An open-source effort towards accessible polymer data☆32Updated 4 years ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Updated 2 years ago
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆23Updated 2 months ago
- ☆18Updated last year
- ☆12Updated 6 years ago
- ☆16Updated 9 months ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆32Updated 6 months ago
- Bayesian optimization used for kuka workflow☆19Updated last year