Topic: "chemistry-molecule"
alejandrosantanabonilla/pysoftk
Python program for modelling and simulating polymers.
Language: Jupyter Notebook - Size: 114 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 38 - Forks: 4
Augus1999/mol2chemfigPy3
The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3
Language: Python - Size: 438 KB - Last synced at: about 1 month ago - Pushed at: 5 months ago - Stars: 29 - Forks: 4
Parity-LRX/Parity
Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor
Language: Python - Size: 646 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 15 - Forks: 1
Masker-Li/ChemSelML
A trivial demo of chemical regioselectivity prediction via machine learning
Language: Python - Size: 299 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 11 - Forks: 4
saifaldin14/Molecular-Chemistry-Visualization
A Unity program to identify the VSPER shape of a molecular compound. Custom C++ backend library to identify the shapes of the molecules and a Unity C# frontend
Language: C++ - Size: 2.13 MB - Last synced at: 4 months ago - Pushed at: over 6 years ago - Stars: 8 - Forks: 0
austin-mroz/SMORES
Calculation of electric-field-based steric (Sterimol) parameters.
Language: Python - Size: 4.2 MB - Last synced at: 5 months ago - Pushed at: almost 2 years ago - Stars: 4 - Forks: 1
Bytenol/Antoinette
A collection of chemistry api and tools for learners
Language: JavaScript - Size: 70.3 KB - Last synced at: 4 months ago - Pushed at: 12 months ago - Stars: 2 - Forks: 0
itsmeuttu/chemistry-notes
Discover a treasure trove of meticulously crafted chemistry notes covering a wide spectrum of topics, from fundamental principles to advanced concepts. The repository delves into organic, inorganic, physical chemistry offering practical experiments and vivid diagrams to enhance understanding.
Size: 58.6 KB - Last synced at: 2 months ago - Pushed at: almost 2 years ago - Stars: 2 - Forks: 1
leonardoLavagna/melecule_solubility_app 📦
A simple app that predicts (using a linear model) the solubility of a given input molecule
Language: Jupyter Notebook - Size: 744 KB - Last synced at: over 2 years ago - Pushed at: almost 3 years ago - Stars: 1 - Forks: 0
cscape/molecule-a-day 📦
Chrome extension displaying a chemistry molecule on new tab pages.
Language: CSS - Size: 7.53 MB - Last synced at: over 2 years ago - Pushed at: over 6 years ago - Stars: 1 - Forks: 0
Kaynan-Jamelaumn/Chemical-Equation-Balancer
Takes Chemical Equations And Correctly Balances It. It also calculates NOX
Language: Python - Size: 21.5 KB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0
leithdm/computational-chemistry
Fortran code for a computational chemistry simulation
Size: 642 KB - Last synced at: over 2 years ago - Pushed at: about 5 years ago - Stars: 0 - Forks: 0
