anirudh-nambiar / make-it-systemLinks
Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesis
☆17Updated 3 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
Sorting:
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆22Updated last year
- Deep learning for compound price prediction☆19Updated last year
- ☆29Updated 2 weeks ago
- ☆15Updated last year
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Updated 3 years ago
- Automagically resolve the best structure for molecules across several databases from identifiers☆39Updated last week
- The code corresponding to Transfer Learning for a Foundational Chemistry Model☆12Updated 2 years ago
- fastsolv python package, website, and paper code☆38Updated 5 months ago
- ☆38Updated 2 years ago
- Code for training machine learning model for reaction condition prediction☆47Updated 5 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆34Updated 3 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…☆20Updated 4 years ago
- Synthetic Bayesian Classification☆48Updated 5 years ago
- An open-source effort towards accessible polymer data☆41Updated 5 years ago
- Code to compute electronic and steric features to create a database of ligands and their properties☆18Updated 4 years ago
- A Python toolbox to work with molecular similarity☆44Updated 4 months ago
- Machine learning predictions of bond dissociation energy☆67Updated last year
- ☆19Updated last year
- Automated analysis of LCMS data for high throughput chemistry experiments☆22Updated last month
- Prediction of pKa from chemical structure using machine learning approaches,molecular similarity and so on☆24Updated last year
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44Updated 8 months ago
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆32Updated 3 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 4 years ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆32Updated last year
- Computer-aided synthesis planning☆45Updated last month
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Updated 4 years ago
- Chemical Structure Handling for Pandas DataFrames☆34Updated 2 years ago
- Synthesis generative model☆48Updated 9 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.☆24Updated 3 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆43Updated last year