Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
☆48Jun 1, 2020Updated 6 years ago
Alternatives and similar repositories for molminer
Users that are interested in molminer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆68Jul 9, 2026Updated 2 months ago
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆16Oct 27, 2025Updated 10 months ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆46May 3, 2021Updated 5 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆86Mar 26, 2022Updated 4 years ago
- 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.
- OSRA source from http://cactus.nci.nih.gov/osra/☆39Aug 7, 2013Updated 13 years ago
- Extracts data from tables with complicated structures.☆17Mar 14, 2025Updated last year
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 4 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆15May 30, 2021Updated 5 years ago
- Tool to compute bond and angle force field parameters with the Seminario method☆14Apr 15, 2018Updated 8 years ago
- drugdesign.org source of truth☆32Feb 18, 2024Updated 2 years ago
- ☆26Sep 26, 2022Updated 3 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- ☆13Aug 5, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆11Apr 11, 2021Updated 5 years ago
- 基于osra的化学结构式识别工具☆22Apr 9, 2024Updated 2 years ago
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆46Jun 21, 2026Updated 3 months ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆211Sep 22, 2023Updated 3 years ago
- IUPAC SMILES+ Specification☆43Dec 12, 2023Updated 2 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆18Oct 4, 2021Updated 4 years ago
- Automatically extract chemical information from scientific documents☆365Jul 27, 2023Updated 3 years ago
- Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion☆237Updated this week
- Derivation of structural alerts from bioactivity data sets☆32Mar 6, 2016Updated 10 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- BigSMILES☆11Jun 16, 2024Updated 2 years ago
- ☆13Sep 25, 2022Updated 3 years ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆190Sep 18, 2023Updated 3 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17May 24, 2022Updated 4 years ago
- Physico-chemical and biological property prediction for small molecules☆12May 3, 2022Updated 4 years ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 4 years ago
- DeepSMILES - A variant of SMILES for use in machine-learning☆146May 24, 2021Updated 5 years ago
- GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"☆12Jul 25, 2024Updated 2 years ago
- OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientif…☆41Aug 13, 2026Updated last month
- 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.
- 3D pharmacophore signatures and fingerprints☆118May 8, 2025Updated last year
- Official repository for multitask deep learning models.☆19Jun 12, 2026Updated 3 months ago
- C++/Python Library for Systematic Chemical Space Exploration☆25Dec 21, 2021Updated 4 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 4 months ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Sep 28, 2021Updated 4 years ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated last year
- Optical Chemical Structure Recognition Tool (based on OSRA)☆19Mar 22, 2017Updated 9 years ago