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Open Chemistry
Open Chemistry is participating in
GSoC 2024
. View the
ideas list
and the
contribution guide
for this organization.
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Advancing Open Source & Open Science for Chemistry
Category
Science and medicine
Years
2024
2023
2022
2021
2020
2019
2018
2017
2016
Technologies
python
javascript
opengl
c++
webgl
java
html
c
c++14
c++17
Topics
visualization
chemistry
graphics
materials science
data science
scientific visualization
science
scientific computing
computational chemistry
cheminformatics
quantum chemistry
Past Projects
2023
2022
2021
2020
2019
2018
2017
2016
Improve and enhance 3DMol.js
Adithya Krishna V Sharma
The 3DMol.js library size is quite large, but can be optimized by using const instead of var, array destructuring, global constants, and the...
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Code Submission
Developing Large-Scale Calculation Management Tools for CalcUS
Anchal Malani
CalcUS aims to democratize access to computational chemistry by providing a user-friendly web interface to simplify running and analyzing quantum...
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Code Submission
Active Learning based Bayesian Geometry Optimizer
Mayank Goel
The goal of this project is to develop an Active Learning based Bayesian Geometry Optimizer(ALBGO) using PyTorch and BoTorch for optimizing the...
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Code Submission
Porting SeqToSeq and DTNN Model to PyTorch
Rakshit Kumar Singh
PyTorch is becoming increasingly popular as the preferred backend for developing algorithms, thanks to its sustainability. DeepChem has decided to...
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Code Submission
MXMNet Model Implementation for DeepChem
RiyaSingh
The DeepChem project aims to create high-quality, open-source tools to democratize the use of deep learning in drug discovery, materials science,...
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Code Submission
Implementation of GAMESS .dat and NBO Parsers
Veronika Zak
The goal of this GSoC project is to address outstanding issues on GitHub for supporting additional programs and formats that are not currently...
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Code Submission
Julia Bindings for Cclib
Victor Hugo Cano Gil
The Cclib library is a popular tool used in computational chemistry for parsing and interpreting output files from software packages such as...
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Code Submission
Addition of support for NWChem to the ccinput package
Žarko Ivković
The necessity of having an application for the automated generation of input files for computational chemistry codes is evident. The ccinput is an...
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Code Submission