abrechts / Phoenix-ELNLinks
Electronic lab notebook for organic chemistry
☆15Updated last week
Alternatives and similar repositories for Phoenix-ELN
Users that are interested in Phoenix-ELN are comparing it to the libraries listed below
Sorting:
- Modular deep learning framework for chemical reactions☆50Updated this week
- A JupyterLab plugin implementing the XSMILES visualization☆12Updated 2 years ago
- Google Colaboratory Notebooks for Computational Biochemistry☆19Updated 5 months ago
- Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to b…☆31Updated 2 months ago
- A meticulously curated resource list focused on computational methods for drug discovery.☆85Updated this week
- ☆31Updated 6 months ago
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆21Updated 4 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆36Updated this week
- CheMeleon Descriptor-based Foundation Model☆92Updated 2 months ago
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆13Updated last year
- Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.☆16Updated 3 years ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Updated last month
- Interactive data analysis and visualisation with chemical intelligence☆130Updated this week
- Enable cheminformatics and quantum chemistry☆77Updated last year
- Code for training machine learning model for reaction condition prediction☆46Updated 5 years ago
- Main InChI repository☆100Updated this week
- List of papers about Peptide research using Deep Learning☆31Updated last month
- In silico chemical library engine for high-accuracy chemical property prediction☆62Updated 6 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆50Updated 9 months ago
- A chemical Organic Synthesis Exploration Tool☆11Updated 7 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆81Updated 4 months ago
- Fast Molecular Property Prediction with mordredcommunity☆55Updated last month
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆76Updated 3 weeks ago
- Predict optical properties of molecules with machine learning.☆33Updated 3 months ago
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆114Updated last week
- Machine learning accelerated docking screens☆65Updated 10 months ago
- Computer-aided synthesis planning☆41Updated this week
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated 2 years ago
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆58Updated last week
- ☆122Updated 2 years ago