☆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
- 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
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Python script to perform fingerprinting and calculate Tanimoto similarities on multiple compounds.☆21Mar 29, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Dataset2024☆12Jun 12, 2025Updated last year
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- [NeurIPS2024] Fast T2T: Optimization Consistency Speeds Up Diffusion-Based Training-to-Testing Solving for Combinatorial Optimization; [N…☆24Jul 2, 2025Updated last year
- ☆18Aug 5, 2023Updated 3 years ago
- 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 last month
- Official implementation of Beyond the Heatmap: A Rigorous Evaluation of Component Impact in MCTS-Based TSP Solvers.☆14Mar 1, 2026Updated 6 months ago
- papers about recommender system.☆10May 18, 2021Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Retrosynthesis planner☆63Jan 14, 2021Updated 5 years ago
- Permutation-Invariant Autoregressive Diffusion (NeurIPS 2024)☆22Sep 26, 2024Updated 2 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
- Python xml.sax☆10Mar 19, 2019Updated 7 years ago
- substructure search in large combinatorial spaces using openchemlib☆23Updated this week
- ☆12Sep 29, 2021Updated 4 years ago
- IEEE ISBI 2022 paper: CEUSegNet: A Cross-Modality Lesion Segmentation Network for Contrast-Enhanced Ultrasound.☆11Mar 2, 2023Updated 3 years ago
- ☆18Apr 11, 2023Updated 3 years ago
- 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
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 4 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
- Molecule Design using Monte Carlo Tree Search with Neural Rollout☆173Jan 25, 2019Updated 7 years ago
- ☆25Jul 27, 2023Updated 3 years ago
- Graph generative pre-trained transformer☆22Jun 3, 2025Updated last year
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆62Mar 16, 2023Updated 3 years ago
- NEFF Calculator and MSA File Converter☆16May 6, 2026Updated 4 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python-based HEX implementation for a fragment of the HEX language and a subset of features.☆15Jan 4, 2022Updated 4 years ago
- ☆11Apr 25, 2021Updated 5 years ago
- 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
- OTv2: distributed service that matches raw GPS probe data to OSMLR segments and sends anonymized speeds to Datastore☆14Jul 1, 2022Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago