☆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 distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 8 years ago
- A novel parallel UCT algorithm with linear speedup and negligible performance loss.☆122Apr 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
- Parallel Monte Carlo Tree Search with Batched Rigid-body Simulations☆31Aug 9, 2024Updated last year
- blogpost notebooks☆20Aug 18, 2020Updated 5 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.
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 years ago
- Python script to perform fingerprinting and calculate Tanimoto similarities on multiple compounds.☆21Mar 29, 2025Updated last year
- Graph generative pre-trained transformer☆21Jun 3, 2025Updated 11 months ago
- This repo is built to facilitate the training and analysis of autoregressive transformers on maze-solving tasks.☆35Oct 28, 2025Updated 6 months ago
- Anti exploration in offline reinforcement learning☆11May 17, 2021Updated 4 years ago
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- Minimal AlphaFold☆56Aug 24, 2024Updated last year
- Code for the MLHC 2021 paper: A New Semi-supervised Learning Benchmark for Classifying View and Diagnosing Aortic Stenosis from Echocardi…☆15Aug 12, 2021Updated 4 years ago
- ☆23Jul 27, 2021Updated 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.
- ☆13Oct 3, 2024Updated last year
- This is the source code for solving the Traveling Salesman Problems (TSP) using Monte Carlo tree search (MCTS).☆35Sep 25, 2019Updated 6 years ago
- Retrosynthesis planner☆62Jan 14, 2021Updated 5 years ago
- This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and stru…☆24Aug 14, 2023Updated 2 years ago
- IEEE ISBI 2022 paper: CEUSegNet: A Cross-Modality Lesion Segmentation Network for Contrast-Enhanced Ultrasound.☆10Mar 2, 2023Updated 3 years ago
- A class for synchronizing sensor readings to the system clock☆11Oct 25, 2018Updated 7 years ago
- Implementations of the renormalization group-based diffusion model (RGDM).☆16Mar 10, 2025Updated last year
- This is the official repository for "DiffSG: A Generative Solver for Network Optimization with Diffusion Model" and "Diffusion Models as …☆20Feb 10, 2025Updated last year
- Implementation of the X-armed Bandits algorithm, as detailed in the paper, "X-armed Bandits", Bubeck et al., 2011.☆11Jul 12, 2018Updated 7 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- lanmt ebm☆12Jun 19, 2020Updated 5 years ago
- Population-based De Novo Molecule Generation, Using Grammatical Evolution☆41Mar 30, 2021Updated 5 years ago
- ☆11Apr 25, 2021Updated 5 years ago
- see github.com/understanding-search/maze-transformer☆10Dec 8, 2023Updated 2 years ago
- Molecule Design using Monte Carlo Tree Search with Neural Rollout☆173Jan 25, 2019Updated 7 years ago
- Disordered protein ensemble prediction☆14Apr 2, 2026Updated last month
- An Image-based Location Recognition solution with PostgreSQL☆12Apr 5, 2017Updated 9 years ago
- Exploring QSAR Models for Activity-Cliff Prediction☆23May 17, 2024Updated 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.
- A whisper repo for TPU☆11Jun 4, 2024Updated last year
- ☆19Jan 2, 2024Updated 2 years ago
- Yasara plugins for Gromacs users☆34Jan 8, 2024Updated 2 years ago
- ☆13Jan 14, 2022Updated 4 years ago
- ☆22May 3, 2025Updated last year
- Code for "Discovering Non-monotonic Autoregressive Orderings with Variational Inference" (paper and code updated from ICLR 2021)☆12Mar 7, 2024Updated 2 years ago
- NEFF Calculator and MSA File Converter☆13Sep 16, 2025Updated 7 months ago