A set of tools to rank molecular pairs by their similarity to components of co-crystal reported in the CSD.
☆11Jan 14, 2022Updated 4 years ago
Alternatives and similar repositories for cocrystal_design
Users that are interested in cocrystal_design are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆43Feb 27, 2024Updated 2 years ago
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Apr 1, 2023Updated 3 years ago
- DTI prediction method☆24Jan 22, 2024Updated 2 years ago
- Python Django Web开发 零基础学习 搭建 待办清单网站 视频地址：☆19Aug 16, 2018Updated 8 years ago
- ☆12Jun 3, 2019Updated 7 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.
- Repo for the paper "Exploiting redundancy in large materials datasets for efficient machine learning with less data"☆11Sep 23, 2024Updated last year
- Quantum Accelerated Genome Sequencing☆11Sep 7, 2021Updated 4 years ago
- 'Phenesthe' (orig. φαίνεσθαι) is a system for the representation and processing of instantaneous and durative temporal phenomena.☆21Dec 3, 2024Updated last year
- ☆13Jan 15, 2026Updated 7 months ago
- Python wrapper for Lambda Lanczos☆17May 10, 2026Updated 3 months ago
- A script designed to track the detailed submission status on ACS Publishing Platform.☆25Jul 10, 2025Updated last year
- Public Repository☆38Feb 1, 2021Updated 5 years ago
- ☆12Aug 30, 2021Updated 4 years ago
- GHCJS binding for three.js☆10Nov 23, 2017Updated 8 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Jupyter Notebooks and supporting files for incorporating Python programming into a lower division analytical chemistry course☆11Aug 2, 2022Updated 4 years ago
- Convert MSP files into a database☆10May 4, 2021Updated 5 years ago
- ☆12Jul 11, 2022Updated 4 years ago
- rf☆12Jul 29, 2026Updated 2 weeks ago
- ☆18Nov 27, 2017Updated 8 years ago
- React component for rewarding users☆10Jan 25, 2023Updated 3 years ago
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 7 years ago
- Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.☆48Apr 14, 2022Updated 4 years ago
- Data augmentation using Conditional Generative Adversarial Networks (cGAN)☆20Oct 25, 2023Updated 2 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.
- ☆13May 10, 2021Updated 5 years ago
- Open Source Ion Mobility Spectrometer☆18Aug 9, 2021Updated 5 years ago
- Variational Autoencoder for Molecules☆32Jan 2, 2019Updated 7 years ago
- A knowledge graph unifying computational and experimental data for MOFs☆50Nov 14, 2025Updated 9 months ago
- Contextual Vision Transformers for Robust Representation Learning☆14Oct 19, 2023Updated 2 years ago
- The website for the MiniZinc constraint modelling system☆19Jul 23, 2026Updated 3 weeks ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆22Jul 27, 2026Updated 3 weeks ago
- My (small) research project in solubility of drug-like molecules☆17Jan 4, 2021Updated 5 years ago
- Predicting mechanism of action of novelcompounds using compound structure andtranscriptomic signature co-embedding☆14Oct 17, 2023Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Books, articles, online courses, and other online resources related to Quantum Networking and Quantum Computing☆32Aug 12, 2021Updated 5 years ago
- Class Prior Estimation in Active Positive and Unlabeled Learning☆16Mar 24, 2021Updated 5 years ago
- Live visualization of convolutional neural network using the iPhone's camera☆24Apr 10, 2017Updated 9 years ago
- A TensorFlow implementation of "Convolutional Networks on Graphs for Learning Molecular Fingerprints".☆30Jun 30, 2017Updated 9 years ago
- Modeling and prediction of drug toxicity from chemical structure☆24Dec 25, 2020Updated 5 years ago
- Fog Prediction using 3D CNN with dense block and attention☆19Jul 17, 2024Updated 2 years ago
- Haskell Web scraping and Automation Library☆24Mar 13, 2020Updated 6 years ago