NP classifier using torch and lightning
☆23Jun 1, 2026Updated last month
Alternatives and similar repositories for torch_np_classifier
Users that are interested in torch_np_classifier 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 Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data☆25Jan 21, 2024Updated 2 years ago
- Bokeh extensions to plot molecules easily☆11Jul 14, 2025Updated last year
- Trends in Computational Metabolomics (2021–2025)☆41May 18, 2026Updated last month
- PyLipidParse is a lightweight Python library for converting standard lipid notation into RDKit and SMILES representations.☆21Apr 9, 2026Updated 3 months ago
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistry☆180Mar 26, 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.
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆25Aug 30, 2025Updated 10 months ago
- Bioactive Molecular Networks Project☆17Nov 17, 2020Updated 5 years ago
- 🤖 MetaboT 🍵 is an AI system that accelerates mass spectrometry-(MS) based metabolomics knowledge graph mining☆30May 7, 2026Updated 2 months ago
- Tools Databases Resources in Metabolomics & Integrated Omics in 2015-2016☆12Mar 7, 2020Updated 6 years ago
- Metabolic Engineering Workbench☆42Jun 9, 2024Updated 2 years ago
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Jul 4, 2026Updated last week
- Self-evolving AI-Framework for Autonomous Scientific Research (ASR) that writes, runs, and improves its own multi-agent workflows. Powere…☆24Updated this week
- Publication-quality molecular graphics.☆574Updated this week
- Reconstruction algorithms for Python☆26Oct 23, 2024Updated last year
- 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.
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆60Jun 23, 2026Updated 3 weeks ago
- DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis…☆15Jan 22, 2026Updated 5 months ago
- Molecular Reinforcement Learning☆14Mar 29, 2023Updated 3 years ago
- A tool for domain based annotation with databases from the Conserved Domains Database☆30May 26, 2026Updated last month
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 4 years ago
- A Pipeline for LC-MS/MS Metabolomics Data Process and Analysis☆17Updated this week
- Biosynthesis Navigator for Natural Products☆57Jul 4, 2022Updated 4 years ago
- ☆15Jul 4, 2023Updated 3 years ago
- ☆11Apr 25, 2026Updated 2 months 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.
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆243Apr 21, 2026Updated 2 months ago
- the toolbox for Microbial and personalized GEM, REactiobiome and community NEtwork modelling☆11Feb 3, 2024Updated 2 years ago
- Finding patch of conserved amino acid sites in 3D structure☆14Apr 13, 2025Updated last year
- Meta-Omics Software for Community Analysis☆37Jun 4, 2026Updated last month
- Foster the development of impactful AI models in drug discovery.☆143Aug 22, 2025Updated 10 months ago
- Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"☆13Aug 7, 2023Updated 2 years ago
- UniProt Id Mapping through API☆40Sep 22, 2025Updated 9 months ago
- Open Accelerated Discovery Toolkit☆15Mar 24, 2026Updated 3 months ago
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Apr 20, 2025Updated last year
- 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.
- Tree-based visualization for high-dimensional data. Organizes similar items into interactive tree structures for any high-dimensional dat…☆34Updated this week
- CryoBoltz code for protein structure prediction with cryo-EM guidance. NeurIPS 2025.☆38Nov 30, 2025Updated 7 months ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆53Updated this week
- An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to br…☆43Feb 3, 2026Updated 5 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆54Mar 10, 2025Updated last year
- A toolkit for enzyme discovery☆27May 18, 2026Updated last month
- Pipelines used in the lab.☆15Mar 26, 2025Updated last year