Generator of SMILES string from bigSMILES with extension
☆35May 15, 2025Updated last year
Alternatives and similar repositories for G-BigSMILES
Users that are interested in G-BigSMILES are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Block Copolymer Phase Behavior Database (BCDB)☆20Mar 1, 2024Updated 2 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆50Oct 12, 2022Updated 3 years ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆20Jun 9, 2024Updated last year
- CRIPT Python SDK☆11May 29, 2024Updated last year
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 6 months 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.
- ☆24Feb 13, 2025Updated last year
- AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers: https://doi.org/10.1002/advs.202411385☆12Oct 18, 2025Updated 7 months ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆90Nov 17, 2023Updated 2 years ago
- Predicting molecular structure from multimodal spectroscopic data☆28Mar 9, 2026Updated 2 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆34Apr 14, 2026Updated last month
- Chemometric analysis methods implemented in python☆14Jul 13, 2025Updated 10 months ago
- ☆20Apr 9, 2024Updated 2 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆42Nov 17, 2025Updated 6 months ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆26Jan 25, 2023Updated 3 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.
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 2 years ago
- An integrated framework for chemical reaction feasibility prediction. This is a structured solution for one of the Chemistry Challenges o…☆12May 31, 2022Updated 3 years ago
- A Python library for polymerization kinetics and related chemical engineering calculations.☆20May 14, 2026Updated last week
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- ☆12May 13, 2022Updated 4 years ago
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated 8 months ago
- Summer 2020 reading group on uncertainty quantification☆23Jul 24, 2020Updated 5 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- rule-based virtual polymer library generator☆52Dec 23, 2025Updated 4 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Source code for "Improving Chemical Reaction Yield Prediction Using Pre-Trained Graph Neural Networks"☆21Oct 31, 2024Updated last year
- ☆16Oct 29, 2025Updated 6 months ago
- ☆21Feb 16, 2024Updated 2 years ago
- Solv@TUM - The Solvation Free Energy Database☆13Mar 31, 2024Updated 2 years ago
- GPU-Accelerated Cosine Similarity for Tandem Mass Spectrometry☆17Nov 4, 2025Updated 6 months ago
- Analysis workflow for yield prediction and optimisation in bioreactors for cultivated meat production☆20Jul 1, 2024Updated last year
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated last month
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆32Sep 3, 2024Updated last year
- Code for DBellQuant☆34Jan 30, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- CRIPT Python SDK☆11Apr 13, 2023Updated 3 years ago
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆16May 6, 2026Updated 2 weeks ago
- A basic DNN tutorial in PyTorch, for persons without a background in Linux, Python, or remote servers☆10Apr 2, 2020Updated 6 years ago
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆23Apr 18, 2026Updated last month
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆189May 8, 2026Updated 2 weeks ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆24Feb 25, 2019Updated 7 years ago