rudolphi / open_enventoryLinks
PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry
☆13Updated last year
Alternatives and similar repositories for open_enventory
Users that are interested in open_enventory are comparing it to the libraries listed below
Sorting:
- Quick Reaction Coordinate using Python☆39Updated last year
- RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.☆12Updated 4 months ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆27Updated this week
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆32Updated last year
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆29Updated 2 weeks ago
- Python tools for automating routine tasks encountered when running quantum chemistry computations.☆53Updated 2 weeks ago
- Common molecule fragments for visualization in Avogadro☆17Updated last week
- Data for Coordination Complexes for the InChI Identifier☆12Updated 4 years ago
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆12Updated 4 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- An overview over chemical datasets and where to find them☆17Updated 2 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…☆19Updated 4 years ago
- An open-source effort towards accessible polymer data☆39Updated 4 years ago
- A cross-platform application for visualization of molecular databases.☆33Updated 2 years ago
- The architector python package - for 3D metal complex design. C22085☆70Updated 2 months ago
- OMNI-P2x: A universal neural network potential for excited states☆11Updated 5 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Updated last year
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Updated last year
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- Enable cheminformatics and quantum chemistry☆77Updated last year
- ☆13Updated 2 years ago
- Automated Transition States Builder☆11Updated 2 years ago
- AlabOS: Managing the workflows in the Autonomous lab☆46Updated 3 months ago
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆21Updated 4 years ago
- ☆44Updated 4 months ago
- A brain for self-driving laboratories☆43Updated 5 months ago
- Python Data and Scripting course for computational chemists☆86Updated last year
- ☆13Updated 2 years ago
- Open-source framework for chemical reaction modeling in PyTorch☆24Updated this week
- AutoTST: A framework to perform automated transition state theory calculations☆44Updated last year