www.compscience.org (@compsciencelab)
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compsciencelab

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  • Stars
    star
    91
  • Global Org. Rank 60,512 (Top 20 %)
  • Registered over 10 years ago
  • Most used languages
    Python
         55.6 %
    Jupyter Notebook
         22.2 %
    R
         11.1 %
    C
         11.1 %
  • Location πŸ‡ͺπŸ‡Έ Spain
  • Country Total Rank 2,149
  • Country Ranking
    Jupyter Notebook
         178
    R
         219
    Python
         647
    C
         1,008

Top repositories

1

PromptSMILES

Scaffold decoration and fragment linking with chemical language models and RL
Python
22
star
2

ppo_D

This is the official repository for the paper "Guided Exploration with Proximal Policy Optimization using a Single Demonstration", https://arxiv.org/abs/2007.03328
Jupyter Notebook
17
star
3

mdCATH

This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user examples are also available.
Jupyter Notebook
16
star
4

torchmd-exp

Implementation of Differentiable Molecular Simulations with torchMD.
Python
13
star
5

torchrl_examples

Training examples using TorchRL repo
Python
7
star
6

pytorchrl

Python
7
star
7

ATM_benchmark

Input files for the protein-ligand benchmark performed with the Alchemical Transfer Method (ATM)
R
4
star
8

mydpd

C
3
star
9

pytorch-cifar

Python
1
star