☆22May 5, 2021Updated 5 years ago
Alternatives and similar repositories for mp-chemts
Users that are interested in mp-chemts 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 novel parallel UCT algorithm with linear speedup and negligible performance loss.☆126Apr 26, 2021Updated 5 years ago
- MCTS-RNA is a computational tool for solving RNA inverse folding problem with controlling the GC-content of the RNA sequence very precise…☆13Apr 3, 2017Updated 9 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 6 years ago
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- 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.
- Code for SIGKDD2025 paper: An Efficient Diffusion-based Non-Autoregressive Solver for Traveling Salesman Problem☆16Jan 28, 2025Updated last year
- Python script to perform fingerprinting and calculate Tanimoto similarities on multiple compounds.☆21Mar 29, 2025Updated last year
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- ☆18Aug 5, 2023Updated 3 years ago
- [NeurIPS2024] Fast T2T: Optimization Consistency Speeds Up Diffusion-Based Training-to-Testing Solving for Combinatorial Optimization; [N…☆25Jul 2, 2025Updated last year
- Anti exploration in offline reinforcement learning☆11May 17, 2021Updated 5 years ago
- Minimal AlphaFold☆56Aug 24, 2024Updated 2 years ago
- Refined and extended version of ChemTS☆123Jul 30, 2026Updated 2 months ago
- papers about recommender system.☆10May 18, 2021Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Official implementation of Beyond the Heatmap: A Rigorous Evaluation of Component Impact in MCTS-Based TSP Solvers.☆14Mar 1, 2026Updated 7 months ago
- Retrosynthesis planner☆63Jan 14, 2021Updated 5 years ago
- ☆24Jul 27, 2021Updated 5 years ago
- Python xml.sax☆10Mar 19, 2019Updated 7 years ago
- This is the source code for solving the Traveling Salesman Problems (TSP) using Monte Carlo tree search (MCTS).☆35Sep 25, 2019Updated 7 years ago
- ☆12Sep 29, 2021Updated 5 years ago
- see github.com/understanding-search/maze-transformer☆10Dec 8, 2023Updated 2 years ago
- Implementation of Bayesian Sum-Product Networks☆13May 19, 2020Updated 6 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 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.
- Implementation of the X-armed Bandits algorithm, as detailed in the paper, "X-armed Bandits", Bubeck et al., 2011.☆11Jul 12, 2018Updated 8 years ago
- ☆18Apr 11, 2023Updated 3 years ago
- ☆15Jul 25, 2023Updated 3 years ago
- Population-based De Novo Molecule Generation, Using Grammatical Evolution☆42Mar 30, 2021Updated 5 years ago
- lanmt ebm☆12Jun 19, 2020Updated 6 years ago
- ☆25Jul 27, 2023Updated 3 years ago
- Molecule Design using Monte Carlo Tree Search with Neural Rollout☆172Jan 25, 2019Updated 7 years ago
- Graph generative pre-trained transformer☆22Jun 3, 2025Updated last year
- ☆11Apr 25, 2021Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and stru…☆27Aug 14, 2023Updated 3 years ago
- A whisper repo for TPU☆11Jun 4, 2024Updated 2 years ago
- Official repository for the paper "On Evaluation Metrics for Graph Generative Models"☆25Feb 6, 2022Updated 4 years ago
- An Image-based Location Recognition solution with PostgreSQL☆12Apr 5, 2017Updated 9 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Yasara plugins for Gromacs users☆35Jan 8, 2024Updated 2 years ago
- ☆13Jan 14, 2022Updated 4 years ago