abrechts / Phoenix-ELNLinks
Electronic lab notebook for organic chemistry
☆14Updated this week
Alternatives and similar repositories for Phoenix-ELN
Users that are interested in Phoenix-ELN are comparing it to the libraries listed below
Sorting:
- Open-source framework for chemical reaction modeling in PyTorch☆23Updated this week
- Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to b…☆20Updated last week
- Google Colaboratory Notebooks for Computational Biochemistry☆19Updated 3 months ago
- A JupyterLab plugin implementing the XSMILES visualization☆12Updated 2 years ago
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆21Updated 4 years ago
- A meticulously curated resource list focused on computational methods for drug discovery.☆74Updated last week
- CheMeleon Descriptor-based Foundation Model☆88Updated 3 weeks ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆19Updated this week
- Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.☆16Updated 3 years ago
- List of papers about Peptide research using Deep Learning☆27Updated 4 months ago
- Code for training machine learning model for reaction condition prediction☆45Updated 5 years ago
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆13Updated last year
- Interactive data analysis and visualisation with chemical intelligence☆126Updated last week
- ☆29Updated 4 months ago
- QSARtuna: QSAR model building with the optuna framework☆136Updated 10 months ago
- Machine learning accelerated docking screens☆58Updated 8 months ago
- ☆20Updated 3 weeks ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆79Updated 2 months ago
- A chemical Organic Synthesis Exploration Tool☆11Updated 6 years ago
- A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.☆25Updated last year
- an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets☆146Updated 4 months ago
- Main InChI repository☆97Updated this week
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆72Updated 6 months ago
- Extracting medicinal chemistry intuition via preference machine learning☆111Updated last year
- Token-Mol 1.0:tokenized drug design with large language model☆50Updated 4 months ago
- Enable cheminformatics and quantum chemistry☆76Updated last year
- Computer-aided synthesis planning☆34Updated this week
- LABODOCK: A Colab-Based Molecular Docking Tools☆49Updated 7 months ago
- ☆80Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆56Updated 2 months ago