emmaking-smith / Modular_Latent_SpaceLinks
The code corresponding to Transfer Learning for a Foundational Chemistry Model
☆12Updated 2 years ago
Alternatives and similar repositories for Modular_Latent_Space
Users that are interested in Modular_Latent_Space are comparing it to the libraries listed below
Sorting:
- Implementation of reaction condition prediction with Parrot☆20Updated 2 years ago
- Code for training machine learning model for reaction condition prediction☆47Updated 5 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆23Updated last month
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Updated 5 months ago
- ☆51Updated 10 months ago
- ☆23Updated 2 years ago
- Python for chemoinformatics☆52Updated 6 years ago
- ☆29Updated 3 weeks ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- ☆31Updated 2 years ago
- ☆49Updated 5 years ago
- Deep learning for compound price prediction☆19Updated last year
- The graph-convolutional neural network for pka prediction☆92Updated 2 years ago
- ☆29Updated 2 years ago
- Conformer multi-instance machine Learning☆60Updated 4 months ago
- An open library to work with pharmacophores.☆49Updated 2 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆67Updated 3 months ago
- Retrosynthetic prediction with Atom Environments☆38Updated 2 years ago
- ☆76Updated 2 years ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆97Updated 3 months ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated 2 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆87Updated this week
- A simple molecule fragmentation method.☆41Updated 2 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆40Updated 4 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆66Updated last year
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆85Updated 3 months ago
- ☆27Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆40Updated 8 months ago
- Obtain and organize all feasible fragmentation of molecular methods☆35Updated 2 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.