Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesis
☆19Feb 27, 2022Updated 4 years ago
Alternatives and similar repositories for make-it-system
Users that are interested in make-it-system are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A python package to calculate linear solvent strength parameters in Liquid Chromatography☆12May 1, 2026Updated 2 months ago
- AlphaFlow Reinforcement Learning☆10Apr 13, 2023Updated 3 years ago
- Material for Data Driven Process Systems Engineering Course☆13Apr 27, 2023Updated 3 years ago
- Dynamic Flux Balance analysis in Python☆12Jan 22, 2016Updated 10 years ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Robochem version 1.0☆17Jun 6, 2024Updated 2 years ago
- This repository contains the source code for “Thompson sampling efficient multiobjective optimization” (TSEMO).☆108Jun 19, 2020Updated 6 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago
- Experimental Design via Bayesian Optimization☆177Mar 31, 2026Updated 3 months ago
- ☆66Jun 22, 2022Updated 4 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 3 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆22Updated this week
- Some examples to analyze mass spectrometry data using MALDIquant☆17Oct 13, 2022Updated 3 years ago
- NRPSpredictor2 is a program to predict the specificity of bacterial and fungal adenylation domains.☆11Oct 7, 2019Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 2 years ago
- Graph neural network for predicting NMR chemical shifts☆55May 6, 2022Updated 4 years ago
- insitro's repository for public research code and data☆24Dec 1, 2025Updated 7 months ago
- ☆15Feb 27, 2026Updated 5 months ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆14Sep 27, 2024Updated last year
- ☆15Jun 23, 2024Updated 2 years ago
- 📦 A Command Line Tool for downloading protein structures, sequences and MSAs☆10Nov 21, 2017Updated 8 years ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- ☆29Jan 16, 2026Updated 6 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A trivial demo of chemical regioselectivity prediction via machine learning☆14May 22, 2024Updated 2 years ago
- Learning with uncertainty for biological discovery and design☆34Mar 24, 2023Updated 3 years ago
- NIST Interatomic Potential Repository property calculation tools☆23Aug 5, 2025Updated 11 months ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- This is the code associated to the paper about the MultiModalSpectralTransformer, capable of predicting molecules from spectral data (1H,…☆16Oct 7, 2025Updated 9 months ago
- AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch☆62Jul 16, 2023Updated 3 years ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆127Jul 14, 2025Updated last year
- ☆55Jul 13, 2022Updated 4 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- The MolE pre-training framework to learn general molecular representations from unlabeled structures☆12May 26, 2025Updated last year
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago
- Quantum mechanical descriptor generation☆57Oct 27, 2020Updated 5 years ago
- Official data repository for the Open Reaction Database☆343Updated this week
- ☆57May 20, 2025Updated last year
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆24Jul 15, 2021Updated 5 years ago
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated 11 months ago