abrechts / Phoenix-ELNLinks
Electronic lab notebook for organic chemistry
☆15Updated 3 weeks ago
Alternatives and similar repositories for Phoenix-ELN
Users that are interested in Phoenix-ELN are comparing it to the libraries listed below
Sorting:
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆13Updated last year
- 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 JupyterLab plugin implementing the XSMILES visualization☆12Updated 2 years ago
- Modular deep learning framework for chemical reactions☆54Updated last week
- A meticulously curated resource list focused on computational methods for drug discovery.☆88Updated 3 weeks ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Updated 2 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.☆38Updated 3 weeks ago
- ☆32Updated 6 months ago
- Codebase for controlling and managing the Acceleration Consortium (AC) Training Lab.☆15Updated last week
- CheMeleon Descriptor-based Foundation Model☆96Updated 2 months ago
- Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.☆16Updated 3 years ago
- This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…☆13Updated 6 months ago
- Enable cheminformatics and quantum chemistry☆77Updated last year
- JupyterLab extension for py3Dmol☆22Updated 3 years ago
- Main InChI repository☆101Updated this week
- A chemical Organic Synthesis Exploration Tool☆11Updated 7 years ago
- List of papers about Peptide research using Deep Learning☆32Updated last month
- Computer-aided synthesis planning☆43Updated 2 weeks ago
- Interactive data analysis and visualisation with chemical intelligence☆134Updated 2 weeks ago
- Code for training machine learning model for reaction condition prediction☆46Updated 5 years ago
- Fast Molecular Property Prediction with mordredcommunity☆55Updated 2 months ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆29Updated last week
- Common molecule fragments for visualization in Avogadro☆17Updated last month
- A General Public Dictionary of Common Chemical Names to their Molecular Definition☆23Updated 2 years ago
- PandaDock: A Physics-Based Molecular Docking using Python☆84Updated last week
- Open source Java-based chemistry library☆104Updated this week
- TrajCast: Force-Free MD Through Autoregressive Equivariant Networks☆58Updated 2 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆50Updated 10 months ago