VlachosGroup / nextorch
Experimental design and Bayesian optimization library in Python/PyTorch
☆51Updated 9 months ago
Alternatives and similar repositories for nextorch:
Users that are interested in nextorch are comparing it to the libraries listed below
- ☆57Updated 2 years ago
- Quantum mechanical descriptor generation☆53Updated 4 years ago
- ☆40Updated last year
- A brain for self-driving laboratories☆36Updated 3 months ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆40Updated last month
- Better Data Splits for Machine Learning☆80Updated 2 months ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆85Updated 5 months ago
- Benchmarking☆28Updated 3 years ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆52Updated last week
- The summer training course on the Bayesian Optimization☆27Updated last year
- Experimental Design via Bayesian Optimization☆135Updated 3 years ago
- Optimising chemical reactions using machine learning☆128Updated 8 months ago
- Benchmarking human and machine learning performance.☆33Updated 4 years ago
- rule-based virtual polymer library generator☆36Updated this week
- ☆11Updated last year
- ☆18Updated 9 months ago
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆71Updated this week
- polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics☆53Updated 8 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆39Updated 2 years ago
- ☆18Updated last year
- Algorithmic process optimization and AI experiment design☆31Updated 3 weeks ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆20Updated 2 months ago
- Language-interfaced fine-tuning for chemistry☆38Updated last year
- Golem: an algorithm for robust experiment and process optimization☆17Updated 4 years ago
- Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesis☆17Updated 3 years ago
- Data analytics for molecular solids melting points☆31Updated 2 years ago
- A template for Python packages. Developed by the @quantum-accelerators☆58Updated this week
- Code to build a probabilistic predictive model for HSP☆36Updated 3 years ago
- Phoenics: Bayesian optimization for efficient experiment planning☆92Updated 5 years ago
- ☆29Updated 9 months ago